4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide

C15H13ClF3N7O — CID 90388071

IUPAC4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cnc(-c3cc(C(F)(F)F)nn3C)cn2)c1Cl
InChIInChI=1S/C15H13ClF3N7O/c1-7-12(16)13(26(3)23-7)14(27)22-11-6-20-8(5-21-11)9-4-10(15(17,18)19)24-25(9)2/h4-6H,1-3H3,(H,21,22,27)
InChIKeyZFJDTQLYDLPSFY-UHFFFAOYSA-N
MW399.76 g/mol
LogP2.84
Rot. Bonds3

About 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide

4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide (PubChem CID 90388071) has the molecular formula C15H13ClF3N7O and a molecular weight of 399.76 g/mol. Its IUPAC name is 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide
PubChem CID90388071
Molecular FormulaC15H13ClF3N7O
Molecular Weight399.76 g/mol
Exact Mass399.08
IUPAC Name4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2cnc(-c3cc(C(F)(F)F)nn3C)cn2)c1Cl
InChIInChI=1S/C15H13ClF3N7O/c1-7-12(16)13(26(3)23-7)14(27)22-11-6-20-8(5-21-11)9-4-10(15(17,18)19)24-25(9)2/h4-6H,1-3H3,(H,21,22,27)
InChIKeyZFJDTQLYDLPSFY-UHFFFAOYSA-N
XLogP2.84
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide (CID 90388071) is 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2cnc(-c3cc(C(F)(F)F)nn3C)cn2)c1Cl.
What is the InChIKey of 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide?
The InChIKey is ZFJDTQLYDLPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N7O/c1-7-12(16)13(26(3)23-7)14(27)22-11-6-20-8(5-21-11)9-4-10(15(17,18)19)24-25(9)2/h4-6H,1-3H3,(H,21,22,27).
What are the key properties of 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide?
4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide has a molecular weight of 399.76 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,3-dimethyl-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrazin-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 90388071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).