4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

C12H16ClN5O — CID 19263433

IUPAC4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2nn(CC)cc2Cl)n1
InChIInChI=1S/C12H16ClN5O/c1-3-17-6-5-9(15-17)7-14-12(19)11-10(13)8-18(4-2)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)
InChIKeyUMLXYEASMXLXEW-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.70
Rot. Bonds5

About 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19263433) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID19263433
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1ccc(CNC(=O)c2nn(CC)cc2Cl)n1
InChIInChI=1S/C12H16ClN5O/c1-3-17-6-5-9(15-17)7-14-12(19)11-10(13)8-18(4-2)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)
InChIKeyUMLXYEASMXLXEW-UHFFFAOYSA-N
XLogP1.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
N-[(1-ethylpyrazol-3-yl)methyl]-2-methylbenzamide
CID 4865656
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803693
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 35763960
4-chloro-N-[(1-ethylpyrazol-3-yl)methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19481676
tert-butyl N-[(1-ethylpyrazol-3-yl)methyl]carbamate
CID 163355422
2,4-dichloro-N-[(1-ethylpyrazol-3-yl)methyl]-5-piperidin-1-ylsulfonylbenzamide
CID 19331140
4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
CID 95756461
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-3-yl)methyl]prop-2-enamide
CID 19331002
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19263433) is 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is CCn1ccc(CNC(=O)c2nn(CC)cc2Cl)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is UMLXYEASMXLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-17-6-5-9(15-17)7-14-12(19)11-10(13)8-18(4-2)16-11/h5-6,8H,3-4,7H2,1-2H3,(H,14,19).
What are the key properties of 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 281.75 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19263433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).