1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide

C17H18N4O2S — CID 97143423

IUPAC1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N[C@@H](C)Cc2cncs2)cn1
InChIInChI=1S/C17H18N4O2S/c1-12(7-14-9-18-11-24-14)20-17(22)13-8-19-21(10-13)15-5-3-4-6-16(15)23-2/h3-6,8-12H,7H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyODVXKRAJHZNDTR-LBPRGKRZSA-N
MW342.42 g/mol
LogP2.70
Rot. Bonds6

About 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide

1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide (PubChem CID 97143423) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
PubChem CID97143423
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1cc(C(=O)N[C@@H](C)Cc2cncs2)cn1
InChIInChI=1S/C17H18N4O2S/c1-12(7-14-9-18-11-24-14)20-17(22)13-8-19-21(10-13)15-5-3-4-6-16(15)23-2/h3-6,8-12H,7H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyODVXKRAJHZNDTR-LBPRGKRZSA-N
XLogP2.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid
CID 97275524
1-(2-methoxyphenyl)-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]pyrazole-4-carboxamide
CID 70712336
N-[[(2S,4S)-4-fluoropyrrolidin-2-yl]methyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide;hydrochloride
CID 154896280
1-ethyl-N-[1-(2-methoxyphenoxy)propan-2-yl]pyrazole-4-carboxamide
CID 75371639
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706069
N-[5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706002
1-(2-methoxyphenyl)-N-methyl-N-(1-pyrimidin-4-ylethyl)pyrazole-4-carboxamide
CID 70721608
methyl N-[1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methylamino]-1-oxopropan-2-yl]carbamate
CID 90649934
N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 155917124
1-(2-methoxyphenyl)-N-methyl-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]pyrazole-4-carboxamide
CID 97144985
5-methyl-1-propyl-N-[1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 72856587

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide (CID 97143423) is 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide is COc1ccccc1-n1cc(C(=O)N[C@@H](C)Cc2cncs2)cn1.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
The InChIKey is ODVXKRAJHZNDTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-12(7-14-9-18-11-24-14)20-17(22)13-8-19-21(10-13)15-5-3-4-6-16(15)23-2/h3-6,8-12H,7H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide?
1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 97143423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).