N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

C18H19ClFN5O — CID 77094603

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCc2c(F)cccc2Cl)n(C)n1
InChIInChI=1S/C18H19ClFN5O/c1-10-17(11(2)24(3)22-10)15-8-16(25(4)23-15)18(26)21-9-12-13(19)6-5-7-14(12)20/h5-8H,9H2,1-4H3,(H,21,26)
InChIKeyOMJLZHUSCKVULC-UHFFFAOYSA-N
MW375.84 g/mol
LogP3.16
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide

N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 77094603) has the molecular formula C18H19ClFN5O and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID77094603
Molecular FormulaC18H19ClFN5O
Molecular Weight375.84 g/mol
Exact Mass375.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NCc2c(F)cccc2Cl)n(C)n1
InChIInChI=1S/C18H19ClFN5O/c1-10-17(11(2)24(3)22-10)15-8-16(25(4)23-15)18(26)21-9-12-13(19)6-5-7-14(12)20/h5-8H,9H2,1-4H3,(H,21,26)
InChIKeyOMJLZHUSCKVULC-UHFFFAOYSA-N
XLogP3.16
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 77094603) is N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2c(F)cccc2Cl)n(C)n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is OMJLZHUSCKVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5O/c1-10-17(11(2)24(3)22-10)15-8-16(25(4)23-15)18(26)21-9-12-13(19)6-5-7-14(12)20/h5-8H,9H2,1-4H3,(H,21,26).
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 375.84 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 77094603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).