3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide

C17H14ClF3N4O — CID 159182906

IUPAC3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide
SMILESCn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C17H14ClF3N4O/c1-24-8-7-12(18)15(24)16(26)22-11-5-3-10(4-6-11)13-9-14(17(19,20)21)23-25(13)2/h3-9H,1-2H3,(H,22,26)
InChIKeyQOJXKSNLWWVRMZ-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.35
Rot. Bonds3

About 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide

3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide (PubChem CID 159182906) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide
PubChem CID159182906
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide
SMILESCn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C17H14ClF3N4O/c1-24-8-7-12(18)15(24)16(26)22-11-5-3-10(4-6-11)13-9-14(17(19,20)21)23-25(13)2/h3-9H,1-2H3,(H,22,26)
InChIKeyQOJXKSNLWWVRMZ-UHFFFAOYSA-N
XLogP4.35
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide?
The IUPAC name of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide (CID 159182906) is 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide is Cn1ccc(Cl)c1C(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2C)cc1.
What is the InChIKey of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide?
The InChIKey is QOJXKSNLWWVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-24-8-7-12(18)15(24)16(26)22-11-5-3-10(4-6-11)13-9-14(17(19,20)21)23-25(13)2/h3-9H,1-2H3,(H,22,26).
What are the key properties of 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide?
3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide has a molecular weight of 382.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-methyl-N-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 159182906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).