3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine

C11H20N4 — CID 79461633

IUPAC3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESCc1nn(C)c(C)c1NC1CCC(N)C1
InChIInChI=1S/C11H20N4/c1-7-11(8(2)15(3)14-7)13-10-5-4-9(12)6-10/h9-10,13H,4-6,12H2,1-3H3
InChIKeyBLJRGRVLZOCXSS-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.33
Rot. Bonds2

About 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine

3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine (PubChem CID 79461633) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine
PubChem CID79461633
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESCc1nn(C)c(C)c1NC1CCC(N)C1
InChIInChI=1S/C11H20N4/c1-7-11(8(2)15(3)14-7)13-10-5-4-9(12)6-10/h9-10,13H,4-6,12H2,1-3H3
InChIKeyBLJRGRVLZOCXSS-UHFFFAOYSA-N
XLogP1.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine
CID 28664348
N-cyclododecyl-1,3,5-trimethylpyrazol-4-amine
CID 28515838
N-(3-methoxycyclobutyl)-1,3,5-trimethylpyrazol-4-amine
CID 106821264
4-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 61254029
N-(2,3-dihydro-1H-inden-2-yl)-1,3,5-trimethylpyrazol-4-amine
CID 43512913
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 55146550
1-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)azepan-4-amine
CID 65072552
3-N-(2,6-difluoro-3-methylphenyl)cyclopentane-1,3-diamine
CID 82818304
N-(2-tert-butylcyclohexyl)-1,3,5-trimethylpyrazol-4-amine
CID 43104717
tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)amino]azepane-1-carboxylate
CID 103980702
3-N-(4-methylphenyl)cyclopentane-1,3-diamine
CID 79461968
N-[(3-aminocyclohexyl)methyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 106123491

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine (CID 79461633) is 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine is Cc1nn(C)c(C)c1NC1CCC(N)C1.
What is the InChIKey of 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine?
The InChIKey is BLJRGRVLZOCXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7-11(8(2)15(3)14-7)13-10-5-4-9(12)6-10/h9-10,13H,4-6,12H2,1-3H3.
What are the key properties of 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine?
3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3,5-trimethylpyrazol-4-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).