4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide

C11H16ClN3O — CID 95756461

IUPAC4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCC2CCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyIRFBQWIGBSTDGS-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.09
Rot. Bonds4

About 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide

4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 95756461) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
PubChem CID95756461
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCC2CCC2)n1
InChIInChI=1S/C11H16ClN3O/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,16)
InChIKeyIRFBQWIGBSTDGS-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
N-(cyclohexylmethyl)-2-ethylpyrazole-3-carboxamide
CID 155036093
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19329156
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
ethyl (2R)-2-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-sulfanylpropanoate
CID 19263325
4-chloro-1-ethyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 35522426
4-chloro-1-ethyl-N-(2-ethylphenyl)pyrazole-3-carboxamide
CID 35522358
4-chloro-1-ethyl-N-(4-phenoxyphenyl)pyrazole-3-carboxamide
CID 35522479
4-chloro-1-ethyl-N-(1-ethyl-5-methylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19263448
N-[[1-(4-amino-1-ethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 102735847
methyl 4-[(4-chloro-1-methylpyrazole-3-carbonyl)amino]-1-ethylpyrazole-3-carboxylate
CID 19263773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide (CID 95756461) is 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCC2CCC2)n1.
What is the InChIKey of 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is IRFBQWIGBSTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-2-15-7-9(12)10(14-15)11(16)13-6-8-4-3-5-8/h7-8H,2-6H2,1H3,(H,13,16).
What are the key properties of 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide?
4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 95756461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).