(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H32N4O — CID 26231873

IUPAC(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESC=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCCCCC1)C2
InChIInChI=1S/C20H32N4O/c1-4-13-24-18-12-11-16(21-15-9-7-5-6-8-10-15)14-17(18)19(22-24)20(25)23(2)3/h4,15-16,21H,1,5-14H2,2-3H3/t16-/m1/s1
InChIKeyZQXUUNVSAGDTIS-MRXNPFEDSA-N
MW344.50 g/mol
LogP2.94
Rot. Bonds5

About (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide

(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 26231873) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID26231873
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESC=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCCCCC1)C2
InChIInChI=1S/C20H32N4O/c1-4-13-24-18-12-11-16(21-15-9-7-5-6-8-10-15)14-17(18)19(22-24)20(25)23(2)3/h4,15-16,21H,1,5-14H2,2-3H3/t16-/m1/s1
InChIKeyZQXUUNVSAGDTIS-MRXNPFEDSA-N
XLogP2.94
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 26231873) is (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide is C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H](NC1CCCCCC1)C2.
What is the InChIKey of (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ZQXUUNVSAGDTIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H32N4O/c1-4-13-24-18-12-11-16(21-15-9-7-5-6-8-10-15)14-17(18)19(22-24)20(25)23(2)3/h4,15-16,21H,1,5-14H2,2-3H3/t16-/m1/s1.
What are the key properties of (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
(5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(cycloheptylamino)-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 26231873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).