1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C16H18ClN3O — CID 56816015

IUPAC1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C16H18ClN3O/c1-20-11-12(10-19-20)5-8-18-15(21)16(6-7-16)13-3-2-4-14(17)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,21)
InChIKeyAXXSPLKSXWVVEM-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.46
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 56816015) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID56816015
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C16H18ClN3O/c1-20-11-12(10-19-20)5-8-18-15(21)16(6-7-16)13-3-2-4-14(17)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,21)
InChIKeyAXXSPLKSXWVVEM-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 1246886
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CID 5412092
1-[2-(4-chlorophenyl)ethyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24819189
1-[2-({[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}amino)ethyl]piperidin-2-one
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5-{[{[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}(isopropyl)amino]methyl}pyrrolidin-2-one
CID 16192375
1-(3-chlorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392365
1-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxamide
CID 37392369
1-[2-(3-chlorophenyl)ethyl]-4-{[(1-ethyl-1H-pyrazol-4-yl)methyl]amino}-2-pyrrolidinone
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4-(3-chlorophenyl)-1-methyl-N-(piperidin-4-ylmethyl)pyrazole-3-carboxamide
CID 46890779
N-(4-chlorobenzyl)-3-[4-(1-methyl-1H-pyrazol-4-yl)-3,6-dihydropyridin-1(2H)-yl]propanamide
CID 50970980
1-(3-chlorophenyl)-N-(1-methylpyrazol-4-yl)sulfonylcyclopropane-1-carboxamide
CID 51086105
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 53623462

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 56816015) is 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is Cn1cc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is AXXSPLKSXWVVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-20-11-12(10-19-20)5-8-18-15(21)16(6-7-16)13-3-2-4-14(17)9-13/h2-4,9-11H,5-8H2,1H3,(H,18,21).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 2.46, 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-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56816015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).