N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide

C20H24N4O3 — CID 55904023

IUPACN-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H24N4O3/c1-27-17-13-24(16-5-3-2-4-6-16)22-18(17)20(26)23-11-9-14(10-12-23)19(25)21-15-7-8-15/h2-6,13-15H,7-12H2,1H3,(H,21,25)
InChIKeyCRFPBBLLJRVBER-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.01
Rot. Bonds5

About N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide

N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide (PubChem CID 55904023) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
PubChem CID55904023
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C20H24N4O3/c1-27-17-13-24(16-5-3-2-4-6-16)22-18(17)20(26)23-11-9-14(10-12-23)19(25)21-15-7-8-15/h2-6,13-15H,7-12H2,1H3,(H,21,25)
InChIKeyCRFPBBLLJRVBER-UHFFFAOYSA-N
XLogP2.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.01
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-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide (CID 55904023) is N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)N1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is CRFPBBLLJRVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-17-13-24(16-5-3-2-4-6-16)22-18(17)20(26)23-11-9-14(10-12-23)19(25)21-15-7-8-15/h2-6,13-15H,7-12H2,1H3,(H,21,25).
What are the key properties of N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide?
N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methoxy-1-phenylpyrazole-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55904023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).