N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C19H23N5O2 — CID 120919261

IUPACN-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CCCN1c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C19H23N5O2/c25-17-3-1-13-23(17)16-6-4-15(5-7-16)22-18(26)19(8-11-20-12-9-19)24-14-2-10-21-24/h2,4-7,10,14,20H,1,3,8-9,11-13H2,(H,22,26)
InChIKeyPTBNDBXQHBXVOA-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.73
Rot. Bonds4

About N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120919261) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120919261
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C1CCCN1c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C19H23N5O2/c25-17-3-1-13-23(17)16-6-4-15(5-7-16)22-18(26)19(8-11-20-12-9-19)24-14-2-10-21-24/h2,4-7,10,14,20H,1,3,8-9,11-13H2,(H,22,26)
InChIKeyPTBNDBXQHBXVOA-UHFFFAOYSA-N
XLogP1.73
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120928544
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-[4-(azepane-1-carbonyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926534
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120932209
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120929482
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120920544
N-[4-[(2,5-dioxopyrrolidin-3-yl)methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934516

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120919261) is N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C1CCCN1c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is PTBNDBXQHBXVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-17-3-1-13-23(17)16-6-4-15(5-7-16)22-18(26)19(8-11-20-12-9-19)24-14-2-10-21-24/h2,4-7,10,14,20H,1,3,8-9,11-13H2,(H,22,26).
What are the key properties of N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120919261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).