1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide

C16H18ClN3O — CID 56812614

IUPAC1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H18ClN3O/c1-12(11-20-9-3-8-18-20)19-15(21)16(6-7-16)13-4-2-5-14(17)10-13/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,21)
InChIKeyIXAGJHLTALERQQ-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.77
Rot. Bonds5

About 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide (PubChem CID 56812614) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
PubChem CID56812614
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
SMILESCC(Cn1cccn1)NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C16H18ClN3O/c1-12(11-20-9-3-8-18-20)19-15(21)16(6-7-16)13-4-2-5-14(17)10-13/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,21)
InChIKeyIXAGJHLTALERQQ-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

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2-[3-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
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3-propyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide (CID 56812614) is 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide is CC(Cn1cccn1)NC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is IXAGJHLTALERQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-12(11-20-9-3-8-18-20)19-15(21)16(6-7-16)13-4-2-5-14(17)10-13/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,21).
What are the key properties of 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 56812614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).