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

C19H22N4O2S — CID 97154885

IUPACN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)c1nc(C)c(C)s1
InChIInChI=1S/C19H22N4O2S/c1-5-15(19-20-11(2)12(3)26-19)21-18(24)17-10-16(22-23-17)13-7-6-8-14(9-13)25-4/h6-10,15H,5H2,1-4H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyQTEDYAHXDMHJJA-HNNXBMFYSA-N
MW370.48 g/mol
LogP4.04
Rot. Bonds6

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

N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 97154885) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID97154885
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)c1nc(C)c(C)s1
InChIInChI=1S/C19H22N4O2S/c1-5-15(19-20-11(2)12(3)26-19)21-18(24)17-10-16(22-23-17)13-7-6-8-14(9-13)25-4/h6-10,15H,5H2,1-4H3,(H,21,24)(H,22,23)/t15-/m0/s1
InChIKeyQTEDYAHXDMHJJA-HNNXBMFYSA-N
XLogP4.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-adamantyl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509714
N-[(1R)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134548
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
3-(3-methoxyphenyl)-N-(1-pyrazol-1-ylpropan-2-yl)-1H-pyrazole-5-carboxamide
CID 70750427
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509893
methyl 2-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 71710125
N-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(3-methoxyphenyl)-N-[2-(methylsulfamoyl)ethyl]-1H-pyrazole-5-carboxamide
CID 70776702
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19294391
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 121123179
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97134220

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 97154885) is N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is CC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)c1nc(C)c(C)s1.
What is the InChIKey of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QTEDYAHXDMHJJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-5-15(19-20-11(2)12(3)26-19)21-18(24)17-10-16(22-23-17)13-7-6-8-14(9-13)25-4/h6-10,15H,5H2,1-4H3,(H,21,24)(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97154885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).