N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

C17H19F3N4O2 — CID 167780990

IUPACN-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NC1CNCCC1CO)c1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)13-1-3-14(4-2-13)24-9-12(7-22-24)16(26)23-15-8-21-6-5-11(15)10-25/h1-4,7,9,11,15,21,25H,5-6,8,10H2,(H,23,26)
InChIKeyXAJCSOPSDZZRJL-UHFFFAOYSA-N
MW368.36 g/mol
LogP1.59
Rot. Bonds4

About N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide

N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 167780990) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
PubChem CID167780990
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
SMILESO=C(NC1CNCCC1CO)c1cnn(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)13-1-3-14(4-2-13)24-9-12(7-22-24)16(26)23-15-8-21-6-5-11(15)10-25/h1-4,7,9,11,15,21,25H,5-6,8,10H2,(H,23,26)
InChIKeyXAJCSOPSDZZRJL-UHFFFAOYSA-N
XLogP1.59
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119453521
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120557850
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
N-(3-methylpiperidin-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 120556062
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
1-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25468256
N-[2-(aminomethyl)cyclopentyl]-1-(4-chlorophenyl)pyrazole-4-carboxamide
CID 119603915
[2-(cyclopropylmethyl)azetidin-1-yl]-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 167875007
N-[2-(hydroxymethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103860508
1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide (CID 167780990) is N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is O=C(NC1CNCCC1CO)c1cnn(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is XAJCSOPSDZZRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)13-1-3-14(4-2-13)24-9-12(7-22-24)16(26)23-15-8-21-6-5-11(15)10-25/h1-4,7,9,11,15,21,25H,5-6,8,10H2,(H,23,26).
What are the key properties of N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide?
N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167780990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).