N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide

C11H12ClF2N5O — CID 19478714

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C11H12ClF2N5O/c1-17(6-9-7(12)5-16-18(9)2)10(20)8-3-4-15-19(8)11(13)14/h3-5,11H,6H2,1-2H3
InChIKeyUDUDKSDWTVVLFZ-UHFFFAOYSA-N
MW303.70 g/mol
LogP1.94
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 19478714) has the molecular formula C11H12ClF2N5O and a molecular weight of 303.70 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
PubChem CID19478714
Molecular FormulaC11H12ClF2N5O
Molecular Weight303.70 g/mol
Exact Mass303.07
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide
SMILESCN(Cc1c(Cl)cnn1C)C(=O)c1ccnn1C(F)F
InChIInChI=1S/C11H12ClF2N5O/c1-17(6-9-7(12)5-16-18(9)2)10(20)8-3-4-15-19(8)11(13)14/h3-5,11H,6H2,1-2H3
InChIKeyUDUDKSDWTVVLFZ-UHFFFAOYSA-N
XLogP1.94
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(difluoromethyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19478701
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylbenzamide
CID 19460736
4-chloro-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 19278145
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylbutanamide
CID 19460723
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19460635
(E)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-3-(4-fluorophenyl)-N-methylprop-2-enamide
CID 19460508
2-[5-[methyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485845
N-(2-chloroethyl)-N,2-dimethylpyrazole-3-carboxamide
CID 63391388
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethyl-3-nitrobenzamide
CID 19460511
1-[(3-chloro-4-fluorophenoxy)methyl]-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278482
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methylpropanamide
CID 19460697
2-(4-bromopyrazol-1-yl)-N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 19460696

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide (CID 19478714) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide is CN(Cc1c(Cl)cnn1C)C(=O)c1ccnn1C(F)F.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is UDUDKSDWTVVLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N5O/c1-17(6-9-7(12)5-16-18(9)2)10(20)8-3-4-15-19(8)11(13)14/h3-5,11H,6H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 303.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(difluoromethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19478714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).