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

C19H22F3N5O — CID 118450768

IUPACN-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-10-25-27(12-15)16-3-6-23-11-17(16)26-7-4-14(5-8-26)18(28)24-9-13-1-2-13/h3,6,10-14H,1-2,4-5,7-9H2,(H,24,28)
InChIKeyFAKBAGGSGQDVNV-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.03
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (PubChem CID 118450768) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
PubChem CID118450768
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC NameN-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)15-10-25-27(12-15)16-3-6-23-11-17(16)26-7-4-14(5-8-26)18(28)24-9-13-1-2-13/h3,6,10-14H,1-2,4-5,7-9H2,(H,24,28)
InChIKeyFAKBAGGSGQDVNV-UHFFFAOYSA-N
XLogP3.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide (CID 118450768) is N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is O=C(NCC1CC1)C1CCN(c2cnccc2-n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
The InChIKey is FAKBAGGSGQDVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)15-10-25-27(12-15)16-3-6-23-11-17(16)26-7-4-14(5-8-26)18(28)24-9-13-1-2-13/h3,6,10-14H,1-2,4-5,7-9H2,(H,24,28).
What are the key properties of N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 118450768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).