N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H15N3OS — CID 55738810

IUPACN-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C16H15N3OS/c1-11-4-2-5-12(8-11)10-17-16(20)14-9-13(18-19-14)15-6-3-7-21-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyADMUQRPDRFPUHW-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.38
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55738810) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID55738810
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)c1
InChIInChI=1S/C16H15N3OS/c1-11-4-2-5-12(8-11)10-17-16(20)14-9-13(18-19-14)15-6-3-7-21-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyADMUQRPDRFPUHW-UHFFFAOYSA-N
XLogP3.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-methylbutanoylamino)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55749353
N-[(4-methylsulfonylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 60511742
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 33277905
N-(2,2-dimethoxyethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 91895150
N-(2-chloro-4-methylphenyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55786539
N-[(3-methylphenyl)methyl]-3-(thiophene-2-carbonylamino)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401518
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-[2-(3-methoxyphenoxy)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55740476
N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55957132

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55738810) is N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1cccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ADMUQRPDRFPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-4-2-5-12(8-11)10-17-16(20)14-9-13(18-19-14)15-6-3-7-21-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55738810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).