3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine

C12H22N4 — CID 115881332

IUPAC3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
SMILESCN(C)C1CCC(NCc2ccn(C)n2)C1
InChIInChI=1S/C12H22N4/c1-15(2)12-5-4-10(8-12)13-9-11-6-7-16(3)14-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyRNQDROVYZCDMOF-UHFFFAOYSA-N
MW222.34 g/mol
LogP0.99
Rot. Bonds4

About 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine

3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine (PubChem CID 115881332) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
PubChem CID115881332
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
SMILESCN(C)C1CCC(NCc2ccn(C)n2)C1
InChIInChI=1S/C12H22N4/c1-15(2)12-5-4-10(8-12)13-9-11-6-7-16(3)14-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3
InChIKeyRNQDROVYZCDMOF-UHFFFAOYSA-N
XLogP0.99
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-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

(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
3-(5-methyl-1H-pyrazol-1-yl)propan-1-amine
CID 4712135
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-Methylpyrazol-3-yl)methanamine
CID 7019419
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
1-Methyl-5-[(methylamino)methyl]pyrazole
CID 7019426
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine (CID 115881332) is 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine is CN(C)C1CCC(NCc2ccn(C)n2)C1.
What is the InChIKey of 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine?
The InChIKey is RNQDROVYZCDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-15(2)12-5-4-10(8-12)13-9-11-6-7-16(3)14-11/h6-7,10,12-13H,4-5,8-9H2,1-3H3.
What are the key properties of 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine?
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine has a molecular weight of 222.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 115881332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).