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

C12H15Cl2N5O — CID 19278145

IUPAC4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)N(C)Cc2c(Cl)cnn2C)nn1C
InChIInChI=1S/C12H15Cl2N5O/c1-7-10(14)11(16-18(7)3)12(20)17(2)6-9-8(13)5-15-19(9)4/h5H,6H2,1-4H3
InChIKeyRQPVCJSIXZXKBC-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.04
Rot. Bonds3

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

4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 19278145) has the molecular formula C12H15Cl2N5O and a molecular weight of 316.19 g/mol. Its IUPAC name is 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID19278145
Molecular FormulaC12H15Cl2N5O
Molecular Weight316.19 g/mol
Exact Mass315.07
IUPAC Name4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)N(C)Cc2c(Cl)cnn2C)nn1C
InChIInChI=1S/C12H15Cl2N5O/c1-7-10(14)11(16-18(7)3)12(20)17(2)6-9-8(13)5-15-19(9)4/h5H,6H2,1-4H3
InChIKeyRQPVCJSIXZXKBC-UHFFFAOYSA-N
XLogP2.04
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.04
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
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
4-chloro-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278131
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
4-chloro-N,N-diethyl-1,5-dimethylpyrazole-3-carboxamide
CID 4770956
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460700
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
CID 19460697
3-bromo-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19441160
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19322734
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
CID 19478714
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 19460511
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-nitro-1H-pyrazole-3-carboxamide
CID 135748085

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 19278145) is 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)N(C)Cc2c(Cl)cnn2C)nn1C.
What is the InChIKey of 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is RQPVCJSIXZXKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N5O/c1-7-10(14)11(16-18(7)3)12(20)17(2)6-9-8(13)5-15-19(9)4/h5H,6H2,1-4H3.
What are the key properties of 4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide?
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.04, 3 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-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19278145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).