N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide

C25H27N5O3 — CID 92558546

IUPACN-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3cnn(-c4ccc(C)cc4)c3N)CC2)cc1
InChIInChI=1S/C25H27N5O3/c1-16-3-9-21(10-4-16)30-24(26)22(15-27-30)23(32)18-11-13-29(14-12-18)25(33)19-5-7-20(8-6-19)28-17(2)31/h3-10,15,18H,11-14,26H2,1-2H3,(H,28,31)
InChIKeyCNXABTXQRNTZSG-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.46
Rot. Bonds5

About N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide

N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide (PubChem CID 92558546) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
PubChem CID92558546
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3cnn(-c4ccc(C)cc4)c3N)CC2)cc1
InChIInChI=1S/C25H27N5O3/c1-16-3-9-21(10-4-16)30-24(26)22(15-27-30)23(32)18-11-13-29(14-12-18)25(33)19-5-7-20(8-6-19)28-17(2)31/h3-10,15,18H,11-14,26H2,1-2H3,(H,28,31)
InChIKeyCNXABTXQRNTZSG-UHFFFAOYSA-N
XLogP3.46
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 110239763
(5-amino-1-phenylpyrazol-4-yl)-(1-benzoylpyrrolidin-3-yl)methanone
CID 110239730
methyl 5-amino-1-[4-(pyrrolidine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363469
N-[4-[4-(4-methylphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 71822640
[(2R)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558469
[(2S)-2-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 92558468
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
1-[4-[(3R)-3-[5-amino-1-(4-methoxyphenyl)pyrazole-4-carbonyl]pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 92548944
1-(4-acetamidobenzoyl)-N-methylpiperidine-4-carboxamide
CID 20973013
methyl 5-amino-1-[4-(morpholine-4-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363474
1-[(3R)-3-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]pyrrolidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 92558500

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide (CID 92558546) is N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide is CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)c3cnn(-c4ccc(C)cc4)c3N)CC2)cc1.
What is the InChIKey of N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is CNXABTXQRNTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-3-9-21(10-4-16)30-24(26)22(15-27-30)23(32)18-11-13-29(14-12-18)25(33)19-5-7-20(8-6-19)28-17(2)31/h3-10,15,18H,11-14,26H2,1-2H3,(H,28,31).
What are the key properties of N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide?
N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[5-amino-1-(4-methylphenyl)pyrazole-4-carbonyl]piperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 92558546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).