N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide

C18H20F3N5O — CID 118483243

IUPACN-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-9-23-26(11-13)15-3-6-22-10-16(15)25-7-4-12(5-8-25)17(27)24-14-1-2-14/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,24,27)
InChIKeyLFHRTLLYIGJIJY-UHFFFAOYSA-N
MW379.39 g/mol
LogP2.78
Rot. Bonds4

About N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide

N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118483243) has the molecular formula C18H20F3N5O and a molecular weight of 379.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118483243
Molecular FormulaC18H20F3N5O
Molecular Weight379.39 g/mol
Exact Mass379.16
IUPAC NameN-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H20F3N5O/c19-18(20,21)13-9-23-26(11-13)15-3-6-22-10-16(15)25-7-4-12(5-8-25)17(27)24-14-1-2-14/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,24,27)
InChIKeyLFHRTLLYIGJIJY-UHFFFAOYSA-N
XLogP2.78
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (CID 118483243) is N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is O=C(NC1CC1)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LFHRTLLYIGJIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O/c19-18(20,21)13-9-23-26(11-13)15-3-6-22-10-16(15)25-7-4-12(5-8-25)17(27)24-14-1-2-14/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,24,27).
What are the key properties of N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118483243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).