4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide

C10H15N3O — CID 145143426

IUPAC4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)CCCc2[nH]nc(C(N)=O)c21
InChIInChI=1S/C10H15N3O/c1-10(2)5-3-4-6-7(10)8(9(11)14)13-12-6/h3-5H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyRTCGETABXIBFJT-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.12
Rot. Bonds1

About 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide

4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 145143426) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID145143426
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)CCCc2[nH]nc(C(N)=O)c21
InChIInChI=1S/C10H15N3O/c1-10(2)5-3-4-6-7(10)8(9(11)14)13-12-6/h3-5H2,1-2H3,(H2,11,14)(H,12,13)
InChIKeyRTCGETABXIBFJT-UHFFFAOYSA-N
XLogP1.12
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide (CID 145143426) is 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide is CC1(C)CCCc2[nH]nc(C(N)=O)c21.
What is the InChIKey of 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is RTCGETABXIBFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-10(2)5-3-4-6-7(10)8(9(11)14)13-12-6/h3-5H2,1-2H3,(H2,11,14)(H,12,13).
What are the key properties of 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide?
4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 145143426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).