1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide

C17H23N5O — CID 53326774

IUPAC1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(CC3(CC4CC4)CCC3)cn2)n1
InChIInChI=1S/C17H23N5O/c1-21-8-5-15(20-21)19-16(23)14-10-22(12-18-14)11-17(6-2-7-17)9-13-3-4-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,19,20,23)
InChIKeyICMCZTUJKRLGGL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.84
Rot. Bonds6

About 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide

1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (PubChem CID 53326774) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
PubChem CID53326774
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide
SMILESCn1ccc(NC(=O)c2cn(CC3(CC4CC4)CCC3)cn2)n1
InChIInChI=1S/C17H23N5O/c1-21-8-5-15(20-21)19-16(23)14-10-22(12-18-14)11-17(6-2-7-17)9-13-3-4-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,19,20,23)
InChIKeyICMCZTUJKRLGGL-UHFFFAOYSA-N
XLogP2.84
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The IUPAC name of 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide (CID 53326774) is 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is Cn1ccc(NC(=O)c2cn(CC3(CC4CC4)CCC3)cn2)n1.
What is the InChIKey of 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
The InChIKey is ICMCZTUJKRLGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-8-5-15(20-21)19-16(23)14-10-22(12-18-14)11-17(6-2-7-17)9-13-3-4-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3,(H,19,20,23).
What are the key properties of 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide?
1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(cyclopropylmethyl)cyclobutyl]methyl]-N-(1-methylpyrazol-3-yl)imidazole-4-carboxamide is sourced from PubChem (CID 53326774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).