1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride

C15H25ClN4O — CID 119293137

IUPAC1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Cn1ncc2c1CCCC2NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H24N4O.ClH/c1-19-13-7-5-6-12(11(13)10-17-19)18-14(20)15(16)8-3-2-4-9-15;/h10,12H,2-9,16H2,1H3,(H,18,20);1H
InChIKeyYKGGAKHVFODLDV-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.00
Rot. Bonds2

About 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119293137) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119293137
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride
SMILESCl.Cn1ncc2c1CCCC2NC(=O)C1(N)CCCCC1
InChIInChI=1S/C15H24N4O.ClH/c1-19-13-7-5-6-12(11(13)10-17-19)18-14(20)15(16)8-3-2-4-9-15;/h10,12H,2-9,16H2,1H3,(H,18,20);1H
InChIKeyYKGGAKHVFODLDV-UHFFFAOYSA-N
XLogP2.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride (CID 119293137) is 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride is Cl.Cn1ncc2c1CCCC2NC(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is YKGGAKHVFODLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.ClH/c1-19-13-7-5-6-12(11(13)10-17-19)18-14(20)15(16)8-3-2-4-9-15;/h10,12H,2-9,16H2,1H3,(H,18,20);1H.
What are the key properties of 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 312.85 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119293137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).