1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H10ClF3N4O — CID 35035539

IUPAC1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4O/c17-10-4-6-11(7-5-10)24-14(16(18,19)20)12(9-22-24)15(25)23-13-3-1-2-8-21-13/h1-9H,(H,21,23,25)
InChIKeyPWXMIVSMKHCZQH-UHFFFAOYSA-N
MW366.73 g/mol
LogP4.19
Rot. Bonds3

About 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 35035539) has the molecular formula C16H10ClF3N4O and a molecular weight of 366.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID35035539
Molecular FormulaC16H10ClF3N4O
Molecular Weight366.73 g/mol
Exact Mass366.05
IUPAC Name1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C16H10ClF3N4O/c17-10-4-6-11(7-5-10)24-14(16(18,19)20)12(9-22-24)15(25)23-13-3-1-2-8-21-13/h1-9H,(H,21,23,25)
InChIKeyPWXMIVSMKHCZQH-UHFFFAOYSA-N
XLogP4.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.73
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 46214930
CID 46214930
CID 70496411
CID 70496411
CID 135402958
CID 135402958
CID 135402952
CID 135402952
CID 135402959
CID 135402959
CID 165415259
CID 165415259
CID 3567091
CID 3567091
CID 1084322
CID 1084322
CID 2821219
CID 2821219
CID 10024336
CID 10024336
CID 10137808
CID 10137808
CID 10298587
CID 10298587

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 35035539) is 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccccn1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is PWXMIVSMKHCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O/c17-10-4-6-11(7-5-10)24-14(16(18,19)20)12(9-22-24)15(25)23-13-3-1-2-8-21-13/h1-9H,(H,21,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 366.73 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 35035539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).