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

C14H20ClN5O — CID 19278131

IUPAC4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2nn(C)c(C)c2Cl)c(C)n1
InChIInChI=1S/C14H20ClN5O/c1-6-20-8-11(9(2)16-20)7-18(4)14(21)13-12(15)10(3)19(5)17-13/h8H,6-7H2,1-5H3
InChIKeyXOZUIFQECCBTGF-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.18
Rot. Bonds4

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

4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 19278131) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID19278131
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2nn(C)c(C)c2Cl)c(C)n1
InChIInChI=1S/C14H20ClN5O/c1-6-20-8-11(9(2)16-20)7-18(4)14(21)13-12(15)10(3)19(5)17-13/h8H,6-7H2,1-5H3
InChIKeyXOZUIFQECCBTGF-UHFFFAOYSA-N
XLogP2.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[(4-chloro-1-ethylpyrazol-3-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278138
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1-dimethyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19478680
4-chloro-1-ethyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-5-carboxamide
CID 19507734
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278422
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
CID 4770956
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-ethyl-N-methyl-4-nitropyrazole-3-carboxamide
CID 4769771
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 17020519
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266452
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
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
CID 135117219

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 19278131) is 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2nn(C)c(C)c2Cl)c(C)n1.
What is the InChIKey of 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is XOZUIFQECCBTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-6-20-8-11(9(2)16-20)7-18(4)14(21)13-12(15)10(3)19(5)17-13/h8H,6-7H2,1-5H3.
What are the key properties of 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19278131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).