N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C12H22N4 — CID 114544603

IUPACN-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2cnn(C)c2)C1
InChIInChI=1S/C12H22N4/c1-9-3-4-11(5-9)15-12(6-13)10-7-14-16(2)8-10/h7-9,11-12,15H,3-6,13H2,1-2H3
InChIKeyVKQBHSDAJLBJHF-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.20
Rot. Bonds4

About N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 114544603) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID114544603
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2cnn(C)c2)C1
InChIInChI=1S/C12H22N4/c1-9-3-4-11(5-9)15-12(6-13)10-7-14-16(2)8-10/h7-9,11-12,15H,3-6,13H2,1-2H3
InChIKeyVKQBHSDAJLBJHF-UHFFFAOYSA-N
XLogP1.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylcyclopentyl)amino]-2-(1-methylpyrazol-4-yl)ethanol
CID 115896727
N-cyclopentyl-1-(1-ethylpyrazol-4-yl)ethane-1,2-diamine
CID 103569652
1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544697
1-(3-fluoro-4-methoxyphenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544711
N-(4-methylpiperazin-1-yl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 83012078
N-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65376288
1-(7-bromo-1,3-benzodioxol-5-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544588
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-(5-tert-butylthiophen-2-yl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
CID 114544722
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]cyclopentan-1-amine
CID 115653177
N-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 65383877

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 114544603) is N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CC1CCC(NC(CN)c2cnn(C)c2)C1.
What is the InChIKey of N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is VKQBHSDAJLBJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9-3-4-11(5-9)15-12(6-13)10-7-14-16(2)8-10/h7-9,11-12,15H,3-6,13H2,1-2H3.
What are the key properties of N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114544603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).