N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide

C18H22ClN5O2 — CID 135375920

IUPACN-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H22ClN5O2/c1-14(25)21(2)17-11-20-24(13-17)18(26)23-8-6-22(7-9-23)12-15-4-3-5-16(19)10-15/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyZZPZMNORISFCEJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.31
Rot. Bonds3

About N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide

N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide (PubChem CID 135375920) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide
PubChem CID135375920
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C18H22ClN5O2/c1-14(25)21(2)17-11-20-24(13-17)18(26)23-8-6-22(7-9-23)12-15-4-3-5-16(19)10-15/h3-5,10-11,13H,6-9,12H2,1-2H3
InChIKeyZZPZMNORISFCEJ-UHFFFAOYSA-N
XLogP2.31
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide (CID 135375920) is N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide is CC(=O)N(C)c1cnn(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
The InChIKey is ZZPZMNORISFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-14(25)21(2)17-11-20-24(13-17)18(26)23-8-6-22(7-9-23)12-15-4-3-5-16(19)10-15/h3-5,10-11,13H,6-9,12H2,1-2H3.
What are the key properties of N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide?
N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide has a molecular weight of 375.86 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-N-methylacetamide is sourced from PubChem (CID 135375920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).