1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H34N4O — CID 45159679

IUPAC1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)NC1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1
InChIInChI=1S/C20H34N4O/c1-14(2)21-16-10-11-18-17(12-16)19(20(25)23(3)4)22-24(18)13-15-8-6-5-7-9-15/h14-16,21H,5-13H2,1-4H3
InChIKeyUFGSMJMSXNGYRZ-UHFFFAOYSA-N
MW346.52 g/mol
LogP3.02
Rot. Bonds5

About 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45159679) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45159679
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)NC1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1
InChIInChI=1S/C20H34N4O/c1-14(2)21-16-10-11-18-17(12-16)19(20(25)23(3)4)22-24(18)13-15-8-6-5-7-9-15/h14-16,21H,5-13H2,1-4H3
InChIKeyUFGSMJMSXNGYRZ-UHFFFAOYSA-N
XLogP3.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45159679) is 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)NC1CCc2c(c(C(=O)N(C)C)nn2CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UFGSMJMSXNGYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-14(2)21-16-10-11-18-17(12-16)19(20(25)23(3)4)22-24(18)13-15-8-6-5-7-9-15/h14-16,21H,5-13H2,1-4H3.
What are the key properties of 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 346.52 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N,N-dimethyl-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45159679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).