1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

C16H18ClN3O — CID 37392365

IUPAC1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H18ClN3O/c17-14-5-1-4-13(12-14)16(6-7-16)15(21)18-8-2-10-20-11-3-9-19-20/h1,3-5,9,11-12H,2,6-8,10H2,(H,18,21)
InChIKeyVHXALBRUPOQTKM-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.77
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 37392365) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID37392365
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCn1cccn1)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H18ClN3O/c17-14-5-1-4-13(12-14)16(6-7-16)15(21)18-8-2-10-20-11-3-9-19-20/h1,3-5,9,11-12H,2,6-8,10H2,(H,18,21)
InChIKeyVHXALBRUPOQTKM-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyrazol-3-yl)-2-(3-chlorophenyl)acetamide
CID 145965046
2-(4-butylphenyl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 17478388
N-(4-chlorobenzyl)-3-(1H-pyrazol-1-yl)propanamide
CID 16026410
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392710
N-[(1-phenylcyclopropyl)methyl]-2-pyrazol-1-ylacetamide
CID 46482907
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 56816015
N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 56818038
1-(3-methylphenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 56818483
1-(4-chlorophenyl)-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclopentanecarboxamide
CID 71808043
N-[(1-phenylcyclopropyl)methyl]-2-(2-pyrazol-1-ylethylamino)acetamide
CID 72140783
(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)(1-(4-chlorophenyl)cyclopentyl)methanone
CID 52906664

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide (CID 37392365) is 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is O=C(NCCCn1cccn1)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is VHXALBRUPOQTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-14-5-1-4-13(12-14)16(6-7-16)15(21)18-8-2-10-20-11-3-9-19-20/h1,3-5,9,11-12H,2,6-8,10H2,(H,18,21).
What are the key properties of 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 37392365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).