5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C16H12F3N5O2 — CID 122640541

IUPAC5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1O
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)9-5-6-13(21-7-9)23-15(26)10-8-22-24(14(10)20)11-3-1-2-4-12(11)25/h1-8,25H,20H2,(H,21,23,26)
InChIKeyDFDAGLOIAMTISP-UHFFFAOYSA-N
MW363.30 g/mol
LogP2.83
Rot. Bonds3

About 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 122640541) has the molecular formula C16H12F3N5O2 and a molecular weight of 363.30 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID122640541
Molecular FormulaC16H12F3N5O2
Molecular Weight363.30 g/mol
Exact Mass363.09
IUPAC Name5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
SMILESNc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1O
InChIInChI=1S/C16H12F3N5O2/c17-16(18,19)9-5-6-13(21-7-9)23-15(26)10-8-22-24(14(10)20)11-3-1-2-4-12(11)25/h1-8,25H,20H2,(H,21,23,26)
InChIKeyDFDAGLOIAMTISP-UHFFFAOYSA-N
XLogP2.83
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 122640541) is 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)cnn1-c1ccccc1O.
What is the InChIKey of 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is DFDAGLOIAMTISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O2/c17-16(18,19)9-5-6-13(21-7-9)23-15(26)10-8-22-24(14(10)20)11-3-1-2-4-12(11)25/h1-8,25H,20H2,(H,21,23,26).
What are the key properties of 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?
5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 363.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyphenyl)-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122640541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).