1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine

C13H21N3 — CID 156699906

IUPAC1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine
SMILESCc1cn(C)nc1NCC1(C)CC2(CC2)C1
InChIInChI=1S/C13H21N3/c1-10-6-16(3)15-11(10)14-9-12(2)7-13(8-12)4-5-13/h6H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyGQDLIEQPECAKHF-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.72
Rot. Bonds3

About 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine

1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine (PubChem CID 156699906) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine
PubChem CID156699906
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine
SMILESCc1cn(C)nc1NCC1(C)CC2(CC2)C1
InChIInChI=1S/C13H21N3/c1-10-6-16(3)15-11(10)14-9-12(2)7-13(8-12)4-5-13/h6H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyGQDLIEQPECAKHF-UHFFFAOYSA-N
XLogP2.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine 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 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine (CID 156699906) is 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine is Cc1cn(C)nc1NCC1(C)CC2(CC2)C1.
What is the InChIKey of 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine?
The InChIKey is GQDLIEQPECAKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-6-16(3)15-11(10)14-9-12(2)7-13(8-12)4-5-13/h6H,4-5,7-9H2,1-3H3,(H,14,15).
What are the key properties of 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine?
1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(5-methylspiro[2.3]hexan-5-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 156699906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).