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

C11H14ClN5O — CID 19329156

IUPAC4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCc2ccn(C)n2)n1
InChIInChI=1S/C11H14ClN5O/c1-3-17-7-9(12)10(15-17)11(18)13-6-8-4-5-16(2)14-8/h4-5,7H,3,6H2,1-2H3,(H,13,18)
InChIKeyMEOIEUBAMXEBQF-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.22
Rot. Bonds4

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

4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19329156) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID19329156
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)NCc2ccn(C)n2)n1
InChIInChI=1S/C11H14ClN5O/c1-3-17-7-9(12)10(15-17)11(18)13-6-8-4-5-16(2)14-8/h4-5,7H,3,6H2,1-2H3,(H,13,18)
InChIKeyMEOIEUBAMXEBQF-UHFFFAOYSA-N
XLogP1.22
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[(1-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19263433
4-chloro-1-ethyl-N-[4-[(1-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19263479
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533
N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-1-ethylpyrazole-3-carboxamide
CID 35763960
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164
4-chloro-N-[(3,4-diethoxyphenyl)methyl]-1-ethylpyrazole-3-carboxamide
CID 19263382
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571854
4-chloro-N-(cyclobutylmethyl)-1-ethylpyrazole-3-carboxamide
CID 95756461
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide (CID 19329156) is 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)NCc2ccn(C)n2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is MEOIEUBAMXEBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-3-17-7-9(12)10(15-17)11(18)13-6-8-4-5-16(2)14-8/h4-5,7H,3,6H2,1-2H3,(H,13,18).
What are the key properties of 4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 267.72 g/mol, XLogP of 1.22, 4 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-methylpyrazol-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19329156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).