N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

C30H34ClN5O2S2 — CID 44522335

IUPACN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccc(OC)cc2)cs1.Cl
InChIInChI=1S/C30H33N5O2S2.ClH/c1-5-33(6-2)17-10-18-34(30-31-26(20-38-30)22-13-15-24(37-4)16-14-22)28(36)27-19-25-21(3)32-35(29(25)39-27)23-11-8-7-9-12-23;/h7-9,11-16,19-20H,5-6,10,17-18H2,1-4H3;1H
InChIKeySQPJEVUXDQBXNP-UHFFFAOYSA-N
MW596.22 g/mol
LogP7.33
Rot. Bonds11

About N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride

N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (PubChem CID 44522335) has the molecular formula C30H34ClN5O2S2 and a molecular weight of 596.22 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
PubChem CID44522335
Molecular FormulaC30H34ClN5O2S2
Molecular Weight596.22 g/mol
Exact Mass595.18
IUPAC NameN-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
SMILESCCN(CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccc(OC)cc2)cs1.Cl
InChIInChI=1S/C30H33N5O2S2.ClH/c1-5-33(6-2)17-10-18-34(30-31-26(20-38-30)22-13-15-24(37-4)16-14-22)28(36)27-19-25-21(3)32-35(29(25)39-27)23-11-8-7-9-12-23;/h7-9,11-16,19-20H,5-6,10,17-18H2,1-4H3;1H
InChIKeySQPJEVUXDQBXNP-UHFFFAOYSA-N
XLogP7.33
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.22
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(dimethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522019
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1172713
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenyl-N-(2-phenylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3189612
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3189661
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 1138587
3-methyl-N-(oxolan-2-ylmethyl)-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 3173530
3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 1139457
N-[3-(diethylamino)propyl]-3,4,5-trimethoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173578
N-[4-[2-(4-chloroanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3186572
5-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[3-(dimethylamino)propyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3172966
N-[3-(diethylamino)propyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 3189574

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride (CID 44522335) is N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is CCN(CC)CCCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccc(OC)cc2)cs1.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
The InChIKey is SQPJEVUXDQBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2S2.ClH/c1-5-33(6-2)17-10-18-34(30-31-26(20-38-30)22-13-15-24(37-4)16-14-22)28(36)27-19-25-21(3)32-35(29(25)39-27)23-11-8-7-9-12-23;/h7-9,11-16,19-20H,5-6,10,17-18H2,1-4H3;1H.
What are the key properties of N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride?
N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride has a molecular weight of 596.22 g/mol, XLogP of 7.33, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 44522335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).