4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide

C17H21ClN6O2 — CID 56761915

IUPAC4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C17H21ClN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-7-5-23(6-8-24)15-4-2-3-13(18)9-15/h2-4,9-10,12H,5-8,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyDJGSHZKZHDGVJP-UHFFFAOYSA-N
MW376.85 g/mol
LogP1.54
Rot. Bonds4

About 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide

4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide (PubChem CID 56761915) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
PubChem CID56761915
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide
SMILESCn1cc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C17H21ClN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-7-5-23(6-8-24)15-4-2-3-13(18)9-15/h2-4,9-10,12H,5-8,11H2,1H3,(H,19,26)(H,21,25)
InChIKeyDJGSHZKZHDGVJP-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

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Related Compounds

4-(3-chlorophenyl)-N-[2-(4-hydroxyanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 56761744
N-[2-(3-chloroanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53368887
N-[2-(2-chloroanilino)-2-oxoethyl]-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 56761989
4-(3-chlorophenyl)-N-propylpiperazine-1-carboxamide
CID 17444568
4-(3-chlorophenyl)-N'-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111186922
4-(3-chlorophenyl)-N-(methoxymethyl)piperazine-1-carboxamide
CID 110675953
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylpiperazine-1-carboxamide
CID 53370700
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N-[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]propanamide
CID 112984512
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide (CID 56761915) is 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide is Cn1cc(NC(=O)CNC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
The InChIKey is DJGSHZKZHDGVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c1-22-12-14(10-20-22)21-16(25)11-19-17(26)24-7-5-23(6-8-24)15-4-2-3-13(18)9-15/h2-4,9-10,12H,5-8,11H2,1H3,(H,19,26)(H,21,25).
What are the key properties of 4-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide?
4-(3-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-(3-chlorophenyl)-N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]piperazine-1-carboxamide is sourced from PubChem (CID 56761915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).