4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide

C18H23N5O2 — CID 71043290

IUPAC4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCNC(C(=O)NCc2ccc(-c3cnn(C)c3)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-13(24)23-8-7-19-17(12-23)18(25)20-9-14-3-5-15(6-4-14)16-10-21-22(2)11-16/h3-6,10-11,17,19H,7-9,12H2,1-2H3,(H,20,25)
InChIKeyJNUFQNDWINAPFR-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.52
Rot. Bonds4

About 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide

4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide (PubChem CID 71043290) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide
PubChem CID71043290
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCNC(C(=O)NCc2ccc(-c3cnn(C)c3)cc2)C1
InChIInChI=1S/C18H23N5O2/c1-13(24)23-8-7-19-17(12-23)18(25)20-9-14-3-5-15(6-4-14)16-10-21-22(2)11-16/h3-6,10-11,17,19H,7-9,12H2,1-2H3,(H,20,25)
InChIKeyJNUFQNDWINAPFR-UHFFFAOYSA-N
XLogP0.52
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-3-[[4-(pyridin-4-ylamino)phenyl]methyl]urea
CID 155966979
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 120942144
4-acetyl-N-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086720
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 54980066
(2S)-4-acetyl-N-[2-(2-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 124945908
1-[4-[4-[4-(2-hydroxyethyl)phenyl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166637826
4-(2,5-dioxopyrrolidin-1-yl)-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]benzamide
CID 167770744
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 106739794
N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304104

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide (CID 71043290) is 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide is CC(=O)N1CCNC(C(=O)NCc2ccc(-c3cnn(C)c3)cc2)C1.
What is the InChIKey of 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide?
The InChIKey is JNUFQNDWINAPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(24)23-8-7-19-17(12-23)18(25)20-9-14-3-5-15(6-4-14)16-10-21-22(2)11-16/h3-6,10-11,17,19H,7-9,12H2,1-2H3,(H,20,25).
What are the key properties of 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide?
4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]piperazine-2-carboxamide is sourced from PubChem (CID 71043290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).