N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide

C18H22N4O — CID 45273373

IUPACN-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C18H22N4O/c23-18(20-17-13-16(17)14-5-2-1-3-6-14)21-11-7-15(8-12-21)22-10-4-9-19-22/h1-6,9-10,15-17H,7-8,11-13H2,(H,20,23)
InChIKeyPGDZKICIZRFRTP-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.79
Rot. Bonds3

About N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide

N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide (PubChem CID 45273373) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
PubChem CID45273373
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide
SMILESO=C(NC1CC1c1ccccc1)N1CCC(n2cccn2)CC1
InChIInChI=1S/C18H22N4O/c23-18(20-17-13-16(17)14-5-2-1-3-6-14)21-11-7-15(8-12-21)22-10-4-9-19-22/h1-6,9-10,15-17H,7-8,11-13H2,(H,20,23)
InChIKeyPGDZKICIZRFRTP-UHFFFAOYSA-N
XLogP2.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide (CID 45273373) is N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide is O=C(NC1CC1c1ccccc1)N1CCC(n2cccn2)CC1.
What is the InChIKey of N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
The InChIKey is PGDZKICIZRFRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(20-17-13-16(17)14-5-2-1-3-6-14)21-11-7-15(8-12-21)22-10-4-9-19-22/h1-6,9-10,15-17H,7-8,11-13H2,(H,20,23).
What are the key properties of N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide?
N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylcyclopropyl)-4-pyrazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 45273373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).