3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

C16H15N3O2S — CID 20864956

IUPAC3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccs3)[nH]n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-12-6-4-11(5-7-12)14-9-15(19-18-14)16(20)17-10-13-3-2-8-22-13/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXJHAVNATVDKREF-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.08
Rot. Bonds5

About 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 20864956) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID20864956
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCc3cccs3)[nH]n2)cc1
InChIInChI=1S/C16H15N3O2S/c1-21-12-6-4-11(5-7-12)14-9-15(19-18-14)16(20)17-10-13-3-2-8-22-13/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyXJHAVNATVDKREF-UHFFFAOYSA-N
XLogP3.08
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 9247862
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
N-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857012
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743
3-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 70732817
3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
6-(4-methoxyphenyl)-3-methyl-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 22578782
N-[(4,6-dimethyl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 70783506
N-[2-(furan-2-yl)ethyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71702732
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598
3-(4-methoxyphenyl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 50977161

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 20864956) is 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCc3cccs3)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XJHAVNATVDKREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-21-12-6-4-11(5-7-12)14-9-15(19-18-14)16(20)17-10-13-3-2-8-22-13/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20864956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).