N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide

C21H29N5O2 — CID 126773025

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)N3CCN(C4CCOCC4)CC3)c2)n1
InChIInChI=1S/C21H29N5O2/c1-16-14-17(2)26(23-16)20-5-3-4-18(15-20)22-21(27)25-10-8-24(9-11-25)19-6-12-28-13-7-19/h3-5,14-15,19H,6-13H2,1-2H3,(H,22,27)
InChIKeyNGWYGQRPBUKLBK-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.82
Rot. Bonds3

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 126773025) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID126773025
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)N3CCN(C4CCOCC4)CC3)c2)n1
InChIInChI=1S/C21H29N5O2/c1-16-14-17(2)26(23-16)20-5-3-4-18(15-20)22-21(27)25-10-8-24(9-11-25)19-6-12-28-13-7-19/h3-5,14-15,19H,6-13H2,1-2H3,(H,22,27)
InChIKeyNGWYGQRPBUKLBK-UHFFFAOYSA-N
XLogP2.82
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 87039966
N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
CID 71984770
tert-butyl N-[[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperidin-3-yl]methyl]-N-methylcarbamate
CID 56519049
N-(3-acetamidophenyl)morpholine-4-carboxamide
CID 3707113
N-(1H-indol-5-yl)-4-(oxan-4-yl)piperazine-1-carboxamide
CID 72870748
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
(1R,6S)-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 118794355

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide (CID 126773025) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide is Cc1cc(C)n(-c2cccc(NC(=O)N3CCN(C4CCOCC4)CC3)c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is NGWYGQRPBUKLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-14-17(2)26(23-16)20-5-3-4-18(15-20)22-21(27)25-10-8-24(9-11-25)19-6-12-28-13-7-19/h3-5,14-15,19H,6-13H2,1-2H3,(H,22,27).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 126773025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).