N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide

C19H19N3OS — CID 70753616

IUPACN-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2cccc(-n3cccn3)c2)C2CC2)s1
InChIInChI=1S/C19H19N3OS/c1-14-6-9-18(24-14)13-21(16-7-8-16)19(23)15-4-2-5-17(12-15)22-11-3-10-20-22/h2-6,9-12,16H,7-8,13H2,1H3
InChIKeyOIPDEXBRHXWNFN-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.05
Rot. Bonds5

About N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide

N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 70753616) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID70753616
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCc1ccc(CN(C(=O)c2cccc(-n3cccn3)c2)C2CC2)s1
InChIInChI=1S/C19H19N3OS/c1-14-6-9-18(24-14)13-21(16-7-8-16)19(23)15-4-2-5-17(12-15)22-11-3-10-20-22/h2-6,9-12,16H,7-8,13H2,1H3
InChIKeyOIPDEXBRHXWNFN-UHFFFAOYSA-N
XLogP4.05
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50984971
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 70743438
N-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 46987109
N-cyclopropyl-5-(3-fluorophenyl)-N-[(5-methylthiophen-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 70740715
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 122140934
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide
CID 47078841
N-cyclopentyl-6-(dimethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 74233755
2-[cyclopropyl-[3-(1,2,4-triazol-1-yl)benzoyl]amino]acetic acid
CID 119194616
N-cyclopropyl-3-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011279
N-cyclopentyl-2-(3-methoxy-2-oxo-1-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 72935919
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-pyrazol-1-ylbenzamide
CID 97214308

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 70753616) is N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide is Cc1ccc(CN(C(=O)c2cccc(-n3cccn3)c2)C2CC2)s1.
What is the InChIKey of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is OIPDEXBRHXWNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14-6-9-18(24-14)13-21(16-7-8-16)19(23)15-4-2-5-17(12-15)22-11-3-10-20-22/h2-6,9-12,16H,7-8,13H2,1H3.
What are the key properties of N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide?
N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 337.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 70753616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).