4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide

C17H21ClN6O2 — CID 56763155

IUPAC4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H21ClN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-8-6-23(7-9-24)15-4-2-13(18)3-5-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyCITQNSGRBPXYAT-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.54
Rot. Bonds4

About 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide

4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 56763155) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID56763155
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C17H21ClN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-8-6-23(7-9-24)15-4-2-13(18)3-5-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyCITQNSGRBPXYAT-UHFFFAOYSA-N
XLogP1.54
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide with MolForge

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Related Compounds

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1-(4-((1-(4-chlorophenyl)-1H-pyrazol-4-yl)methyl)piperazin-1-yl)ethanone
CID 134819955
1-(3-chlorophenyl)-4-{1-[(3-methyl-1H-pyrazol-1-yl)acetyl]-3-piperidinyl}piperazine
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(6S)-N-(3-chloro-4-fluorophenyl)-6-methyl-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484049
N-(3-chloro-4-fluoro-phenyl)-3-(2-oxopyrrolidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 121484585
N-(4-Chloro-3-fluorophenyl)-N'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)ethanediamide
CID 135923235
US10323038, Example 194
CID 135375529
US10323038, Example 193
CID 135375920
US10323038, Example 192
CID 135375960
1-(4-Chloro-3-fluorophenyl)-3-(3-pyrazol-1-ylpropyl)urea
CID 47223568
2-[(3-chloro-2-pyrazol-1-ylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide (CID 56763155) is 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide is Cn1cc(NC(=O)CNC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is CITQNSGRBPXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-8-6-23(7-9-24)15-4-2-13(18)3-5-15/h2-5,10,12H,6-9,11H2,1H3,(H,19,26)(H,21,25).
What are the key properties of 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 56763155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).