3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide

C15H12ClN3OS — CID 80645088

IUPAC3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)c1sccc1Cl
InChIInChI=1S/C15H12ClN3OS/c16-12-6-8-21-14(12)15(20)17-9-10-1-3-11(4-2-10)13-5-7-18-19-13/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyPXRUKPFAKNSHCQ-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.72
Rot. Bonds4

About 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide

3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 80645088) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
PubChem CID80645088
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(-c2ccn[nH]2)cc1)c1sccc1Cl
InChIInChI=1S/C15H12ClN3OS/c16-12-6-8-21-14(12)15(20)17-9-10-1-3-11(4-2-10)13-5-7-18-19-13/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyPXRUKPFAKNSHCQ-UHFFFAOYSA-N
XLogP3.72
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[[4-(3-hydroxyprop-1-ynyl)phenyl]methyl]thiophene-2-carboxamide
CID 80641037
N-[3-oxo-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]propyl]thiophene-3-carboxamide
CID 154774741
2-bromo-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 62854367
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]imidazo[1,2-a]pyrazine-8-carboxamide
CID 71991430
5-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 61241953
2-methoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]benzamide
CID 164945781
3-chloro-N-(1H-imidazol-5-ylmethyl)thiophene-2-carboxamide
CID 80641974
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
N-(3-bromopropyl)-3-chlorothiophene-2-carboxamide
CID 80641343

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide (CID 80645088) is 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide is O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is PXRUKPFAKNSHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-12-6-8-21-14(12)15(20)17-9-10-1-3-11(4-2-10)13-5-7-18-19-13/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide?
3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 80645088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).