4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide

C14H20ClN5O — CID 19507734

IUPAC4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2c(Cl)cnn2CC)c(C)n1
InChIInChI=1S/C14H20ClN5O/c1-5-19-9-11(10(3)17-19)8-18(4)14(21)13-12(15)7-16-20(13)6-2/h7,9H,5-6,8H2,1-4H3
InChIKeyXCNFEPXIBYFLIB-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.35
Rot. Bonds5

About 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide

4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide (PubChem CID 19507734) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide
PubChem CID19507734
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2c(Cl)cnn2CC)c(C)n1
InChIInChI=1S/C14H20ClN5O/c1-5-19-9-11(10(3)17-19)8-18(4)14(21)13-12(15)7-16-20(13)6-2/h7,9H,5-6,8H2,1-4H3
InChIKeyXCNFEPXIBYFLIB-UHFFFAOYSA-N
XLogP2.35
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478680
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
CID 19278061
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-5-carboxamide
CID 19507703
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278422
1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-sulfonamide
CID 22203950
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477847
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-(1-ethyl-3-methylpyrazol-4-yl)-N-methylquinoline-4-carboxamide
CID 17023573
1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N,5-dimethylpyrazole-4-carboxamide
CID 19477894
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19575158
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
CID 22203942

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide (CID 19507734) is 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide is CCn1cc(CN(C)C(=O)c2c(Cl)cnn2CC)c(C)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide?
The InChIKey is XCNFEPXIBYFLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-5-19-9-11(10(3)17-19)8-18(4)14(21)13-12(15)7-16-20(13)6-2/h7,9H,5-6,8H2,1-4H3.
What are the key properties of 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide?
4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19507734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).