5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

C13H24N4 — CID 66027739

IUPAC5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCC2CCCC2)c1N
InChIInChI=1S/C13H24N4/c1-9(2)17-13(12(14)10(3)16-17)15-8-11-6-4-5-7-11/h9,11,15H,4-8,14H2,1-3H3
InChIKeyHMQORWFJEDSOSV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.96
Rot. Bonds4

About 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine

5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (PubChem CID 66027739) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
PubChem CID66027739
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
SMILESCc1nn(C(C)C)c(NCC2CCCC2)c1N
InChIInChI=1S/C13H24N4/c1-9(2)17-13(12(14)10(3)16-17)15-8-11-6-4-5-7-11/h9,11,15H,4-8,14H2,1-3H3
InChIKeyHMQORWFJEDSOSV-UHFFFAOYSA-N
XLogP2.96
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

5-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028931
3-methyl-1-propan-2-yl-5-N-(thiolan-2-ylmethyl)pyrazole-4,5-diamine
CID 80584905
5-N-cyclooctyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027336
1-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]propan-2-ol
CID 66029672
5-N-[2-(azepan-1-yl)ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66027942
5-N-(2-ethoxypropyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 113476976
3-methyl-5-N-(2-methylprop-2-enyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 114615272
ethyl 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]acetate
CID 66028328
5-N-tert-butyl-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66028498
3-methyl-5-N-(2-methyl-3-methylsulfanylpropyl)-1-propan-2-ylpyrazole-4,5-diamine
CID 66023712
5-N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029264
4-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)amino]-N-cyclopropylbutanamide
CID 79394730

Frequently Asked Questions

What is the IUPAC name of 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine (CID 66027739) is 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is Cc1nn(C(C)C)c(NCC2CCCC2)c1N.
What is the InChIKey of 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is HMQORWFJEDSOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-9(2)17-13(12(14)10(3)16-17)15-8-11-6-4-5-7-11/h9,11,15H,4-8,14H2,1-3H3.
What are the key properties of 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine?
5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(cyclopentylmethyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 66027739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).