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

C16H16ClN5O — CID 53321553

IUPAC1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23)
InChIKeyDHTQTCDGGVOYOY-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.77
Rot. Bonds5

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

1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (PubChem CID 53321553) has the molecular formula C16H16ClN5O and a molecular weight of 329.79 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
PubChem CID53321553
Molecular FormulaC16H16ClN5O
Molecular Weight329.79 g/mol
Exact Mass329.10
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23)
InChIKeyDHTQTCDGGVOYOY-UHFFFAOYSA-N
XLogP2.77
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 70496595
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CID 129116708
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CID 87381292
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CID 11495611
CID 11495611
CID 11532717
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CID 11575498
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CID 11582697
CID 11582697

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (CID 53321553) is 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(CCc3ccccc3Cl)cn2)n1.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The InChIKey is DHTQTCDGGVOYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O/c1-21-8-7-15(20-21)19-16(23)14-10-22(11-18-14)9-6-12-4-2-3-5-13(12)17/h2-5,7-8,10-11H,6,9H2,1H3,(H,19,20,23).
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide has a molecular weight of 329.79 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53321553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).