N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

C16H15ClFN5O — CID 3677514

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C16H15ClFN5O/c1-10-11(8-22(2)20-10)16(24)19-15-6-7-23(21-15)9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3,(H,19,21,24)
InChIKeyPFSGCKBIPHVBCC-UHFFFAOYSA-N
MW347.78 g/mol
LogP3.02
Rot. Bonds4

About N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 3677514) has the molecular formula C16H15ClFN5O and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID3677514
Molecular FormulaC16H15ClFN5O
Molecular Weight347.78 g/mol
Exact Mass347.09
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
InChIInChI=1S/C16H15ClFN5O/c1-10-11(8-22(2)20-10)16(24)19-15-6-7-23(21-15)9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3,(H,19,21,24)
InChIKeyPFSGCKBIPHVBCC-UHFFFAOYSA-N
XLogP3.02
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,5,6-tetrafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 999008
4-chloro-1-methyl-N-[1-[(4-methylphenyl)methyl]-3-pyrazolyl]-3-pyrazolecarboxamide
CID 1223565
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 1226263
US9975882, Example 55
CID 129255269
US9975882, Example 53
CID 129255274
4-(azetidine-1-carbonyl)-N-[3-(2-chlorophenyl)-1-cyclopentylpyrazol-5-yl]-1-methylpyrazole-5-carboxamide
CID 165415040
4-(azetidine-1-carbonyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 165415319
3-(1-ethyl-1H-pyrazol-4-yl)-N-[1-(2,3,4,5,6-pentafluorobenzyl)-1H-pyrazol-3-yl]acrylamide
CID 6208824
1-tert-butyl-5-ethyl-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]pyrazole-4-carboxamide
CID 47088977
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-pyrazole-4-carboxamide
CID 53324215
1-(4-chloro-3-(trifluoromethyl)benzyl)-N-(1-methyl-1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 53324216

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 3677514) is N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PFSGCKBIPHVBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O/c1-10-11(8-22(2)20-10)16(24)19-15-6-7-23(21-15)9-12-13(17)4-3-5-14(12)18/h3-8H,9H2,1-2H3,(H,19,21,24).
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 3677514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).