N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H24N4O — CID 120932245

IUPACN-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCC1(CNC(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C15H24N4O/c1-2-14(4-5-14)12-17-13(20)15(6-9-16-10-7-15)19-11-3-8-18-19/h3,8,11,16H,2,4-7,9-10,12H2,1H3,(H,17,20)
InChIKeyQRHRBXRAGWGZPD-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.27
Rot. Bonds5

About N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120932245) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120932245
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESCCC1(CNC(=O)C2(n3cccn3)CCNCC2)CC1
InChIInChI=1S/C15H24N4O/c1-2-14(4-5-14)12-17-13(20)15(6-9-16-10-7-15)19-11-3-8-18-19/h3,8,11,16H,2,4-7,9-10,12H2,1H3,(H,17,20)
InChIKeyQRHRBXRAGWGZPD-UHFFFAOYSA-N
XLogP1.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120932245) is N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is CCC1(CNC(=O)C2(n3cccn3)CCNCC2)CC1.
What is the InChIKey of N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is QRHRBXRAGWGZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-14(4-5-14)12-17-13(20)15(6-9-16-10-7-15)19-11-3-8-18-19/h3,8,11,16H,2,4-7,9-10,12H2,1H3,(H,17,20).
What are the key properties of N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclopropyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120932245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).