1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

C19H21N3OS — CID 78872749

IUPAC1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cccs2)cnn1Cc1ccccc1
InChIInChI=1S/C19H21N3OS/c1-3-18-17(19(23)21(2)14-16-10-7-11-24-16)12-20-22(18)13-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3
InChIKeyNJMWXYZHZWDGHA-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.83
Rot. Bonds6

About 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide

1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 78872749) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID78872749
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cccs2)cnn1Cc1ccccc1
InChIInChI=1S/C19H21N3OS/c1-3-18-17(19(23)21(2)14-16-10-7-11-24-16)12-20-22(18)13-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3
InChIKeyNJMWXYZHZWDGHA-UHFFFAOYSA-N
XLogP3.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dibenzyl-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78874071
(1-benzyl-5-ethylpyrazol-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 78872672
N-(3-amino-4-methylpentyl)-1-benzyl-5-ethyl-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659628
2-[(1-benzyl-5-ethylpyrazole-4-carbonyl)-ethylamino]acetic acid
CID 120519737
4-amino-1-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 65357724
1-benzyl-N-[2-(3-chloroanilino)-2-oxoethyl]-5-ethyl-N-methylpyrazole-4-carboxamide
CID 78873289
1-benzyl-5-ethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78873764
2-chloro-N-methyl-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 18208948
2-[(1-benzyl-5-methylpyrazole-4-carbonyl)-methylamino]acetic acid
CID 119171995
2-anilino-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 2533639
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 5-ethyl-1-pyridin-2-ylpyrazole-4-carboxylate
CID 55648943
(1-benzyl-5-ethylpyrazol-4-yl)-(4-benzylpiperazin-1-yl)methanone
CID 78874147

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide (CID 78872749) is 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2cccs2)cnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is NJMWXYZHZWDGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-18-17(19(23)21(2)14-16-10-7-11-24-16)12-20-22(18)13-15-8-5-4-6-9-15/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide?
1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethyl-N-methyl-N-(thiophen-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78872749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).