4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide

C13H17Cl2N5O — CID 19278138

IUPAC4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2nn(C)c(C)c2Cl)n1
InChIInChI=1S/C13H17Cl2N5O/c1-5-20-6-9(14)10(16-20)7-18(3)13(21)12-11(15)8(2)19(4)17-12/h6H,5,7H2,1-4H3
InChIKeyPVBNJSIJECZJPB-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.52
Rot. Bonds4

About 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide

4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 19278138) has the molecular formula C13H17Cl2N5O and a molecular weight of 330.22 g/mol. Its IUPAC name is 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID19278138
Molecular FormulaC13H17Cl2N5O
Molecular Weight330.22 g/mol
Exact Mass329.08
IUPAC Name4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(CN(C)C(=O)c2nn(C)c(C)c2Cl)n1
InChIInChI=1S/C13H17Cl2N5O/c1-5-20-6-9(14)10(16-20)7-18(3)13(21)12-11(15)8(2)19(4)17-12/h6H,5,7H2,1-4H3
InChIKeyPVBNJSIJECZJPB-UHFFFAOYSA-N
XLogP2.52
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.52
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,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 19477826
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
4-bromo-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-5-carboxamide
CID 19507618
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,3-dimethylbenzamide
CID 19450031
3-butyl-1-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-1-methylurea
CID 19456266
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
CID 4770956
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19450044
4-chloro-1-ethyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19575158
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,3,5-tetramethylpyrazole-4-sulfonamide
CID 29096148
N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 19558355
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N-methylpropanamide
CID 19536059

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 19278138) is 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is CCn1cc(Cl)c(CN(C)C(=O)c2nn(C)c(C)c2Cl)n1.
What is the InChIKey of 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is PVBNJSIJECZJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5O/c1-5-20-6-9(14)10(16-20)7-18(3)13(21)12-11(15)8(2)19(4)17-12/h6H,5,7H2,1-4H3.
What are the key properties of 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19278138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).