N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

C16H19Cl2N5O — CID 71783837

IUPACN-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H19Cl2N5O/c17-14-3-2-13(12-15(14)18)20-16(24)22-9-6-21(7-10-22)8-11-23-5-1-4-19-23/h1-5,12H,6-11H2,(H,20,24)
InChIKeyVMEMIWLIJGFCAS-UHFFFAOYSA-N
MW368.27 g/mol
LogP3.04
Rot. Bonds4

About N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide

N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (PubChem CID 71783837) has the molecular formula C16H19Cl2N5O and a molecular weight of 368.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
PubChem CID71783837
Molecular FormulaC16H19Cl2N5O
Molecular Weight368.27 g/mol
Exact Mass367.10
IUPAC NameN-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CCn2cccn2)CC1
InChIInChI=1S/C16H19Cl2N5O/c17-14-3-2-13(12-15(14)18)20-16(24)22-9-6-21(7-10-22)8-11-23-5-1-4-19-23/h1-5,12H,6-11H2,(H,20,24)
InChIKeyVMEMIWLIJGFCAS-UHFFFAOYSA-N
XLogP3.04
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-Dichlorophenyl)-3-(1,3,5-trimethyl-4-pyrazolyl)urea
CID 4885280
N-(3-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 831809
N-(4-chlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 842009
N-(3,4-dichlorophenyl)-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 897364
N-[1-(3,4-dichlorophenyl)pyrazol-3-yl]-2-piperidin-1-ylacetamide
CID 24743571
1-(3,4-dichlorophenyl)-N-(2-piperidin-1-ylethyl)pyrazol-3-amine
CID 24743572
N-(2,3-dichlorophenyl)-N'-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 971083
N-[2-[3-(3-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155518263
N-[2-[3-(2-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155529309
N-[2-[3-(4-chlorophenyl)pyrazol-1-yl]ethyl]piperidine-1-carboxamide
CID 155555275
1-(2-Cyclohexylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 2103145
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 2809205

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide (CID 71783837) is N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CCn2cccn2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
The InChIKey is VMEMIWLIJGFCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N5O/c17-14-3-2-13(12-15(14)18)20-16(24)22-9-6-21(7-10-22)8-11-23-5-1-4-19-23/h1-5,12H,6-11H2,(H,20,24).
What are the key properties of N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide?
N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide has a molecular weight of 368.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71783837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).