N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide

C18H30N4O — CID 154577373

IUPACN-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
SMILESNC1(CNC(=O)c2ccn(C3CCCCC3)n2)CCCCCC1
InChIInChI=1S/C18H30N4O/c19-18(11-6-1-2-7-12-18)14-20-17(23)16-10-13-22(21-16)15-8-4-3-5-9-15/h10,13,15H,1-9,11-12,14,19H2,(H,20,23)
InChIKeyVNODYVFIRMMCLT-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.17
Rot. Bonds4

About N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide

N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide (PubChem CID 154577373) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
PubChem CID154577373
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
SMILESNC1(CNC(=O)c2ccn(C3CCCCC3)n2)CCCCCC1
InChIInChI=1S/C18H30N4O/c19-18(11-6-1-2-7-12-18)14-20-17(23)16-10-13-22(21-16)15-8-4-3-5-9-15/h10,13,15H,1-9,11-12,14,19H2,(H,20,23)
InChIKeyVNODYVFIRMMCLT-UHFFFAOYSA-N
XLogP3.17
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide?
The IUPAC name of N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide (CID 154577373) is N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide is NC1(CNC(=O)c2ccn(C3CCCCC3)n2)CCCCCC1.
What is the InChIKey of N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide?
The InChIKey is VNODYVFIRMMCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c19-18(11-6-1-2-7-12-18)14-20-17(23)16-10-13-22(21-16)15-8-4-3-5-9-15/h10,13,15H,1-9,11-12,14,19H2,(H,20,23).
What are the key properties of N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide?
N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide is sourced from PubChem (CID 154577373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).