N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine

C14H26N4 — CID 114544966

IUPACN-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)NC2CCC(C)(C)C2)cnn1C
InChIInChI=1S/C14H26N4/c1-10-12(9-16-18(10)4)13(8-15)17-11-5-6-14(2,3)7-11/h9,11,13,17H,5-8,15H2,1-4H3
InChIKeyJQKGPFFSVTYKPF-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.90
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 114544966) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID114544966
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine
SMILESCc1c(C(CN)NC2CCC(C)(C)C2)cnn1C
InChIInChI=1S/C14H26N4/c1-10-12(9-16-18(10)4)13(8-15)17-11-5-6-14(2,3)7-11/h9,11,13,17H,5-8,15H2,1-4H3
InChIKeyJQKGPFFSVTYKPF-UHFFFAOYSA-N
XLogP1.90
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-(1,5-Dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 17024833
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
1-methyl-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine
CID 70701199
4-(1,4-dimethyl-1H-pyrazol-5-yl)piperidine
CID 82600316
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine hydrochloride
CID 146444800
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 72043819
1-(1-ethyl-5-methyl-1H-pyrazol-4-yl)ethanamine
CID 17024698
2-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005858
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)-1-(1-methylcyclopentyl)methanamine dihydrochloride
CID 155973718
1,4-dimethyl-3-(pyrrolidin-2-yl)-1H-pyrazole dihydrochloride
CID 165982902
(1S)-N-[(2-cyclopentylpyrazol-3-yl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 28871074

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine (CID 114544966) is N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine is Cc1c(C(CN)NC2CCC(C)(C)C2)cnn1C.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is JQKGPFFSVTYKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-10-12(9-16-18(10)4)13(8-15)17-11-5-6-14(2,3)7-11/h9,11,13,17H,5-8,15H2,1-4H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 250.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(1,5-dimethylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 114544966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).