1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H34N4O — CID 45160773

IUPAC1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1CC(NC1CCCC1)CC2
InChIInChI=1S/C21H34N4O/c1-22-21(26)20-18-13-17(23-16-9-5-6-10-16)11-12-19(18)25(24-20)14-15-7-3-2-4-8-15/h15-17,23H,2-14H2,1H3,(H,22,26)
InChIKeyHVWNSNQQOISBBC-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.21
Rot. Bonds5

About 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45160773) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45160773
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(CC2CCCCC2)c2c1CC(NC1CCCC1)CC2
InChIInChI=1S/C21H34N4O/c1-22-21(26)20-18-13-17(23-16-9-5-6-10-16)11-12-19(18)25(24-20)14-15-7-3-2-4-8-15/h15-17,23H,2-14H2,1H3,(H,22,26)
InChIKeyHVWNSNQQOISBBC-UHFFFAOYSA-N
XLogP3.21
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45160773) is 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(CC2CCCCC2)c2c1CC(NC1CCCC1)CC2.
What is the InChIKey of 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HVWNSNQQOISBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-22-21(26)20-18-13-17(23-16-9-5-6-10-16)11-12-19(18)25(24-20)14-15-7-3-2-4-8-15/h15-17,23H,2-14H2,1H3,(H,22,26).
What are the key properties of 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-(cyclopentylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45160773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).