3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine

C15H20N4 — CID 79462283

IUPAC3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C15H20N4/c16-13-6-7-14(8-13)18-15-9-17-19(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14,18H,6-8,10,16H2
InChIKeyBWVFNQYKSJLMBF-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.22
Rot. Bonds4

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

3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine (PubChem CID 79462283) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
PubChem CID79462283
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C15H20N4/c16-13-6-7-14(8-13)18-15-9-17-19(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14,18H,6-8,10,16H2
InChIKeyBWVFNQYKSJLMBF-UHFFFAOYSA-N
XLogP2.22
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(3-ethylcyclopentyl)pyrazol-4-amine
CID 64501748
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
CID 79461364
1-benzyl-N-(2,3-dimethylcyclobutyl)pyrazol-4-amine
CID 130645912
trans-(1R,3R)-3-N-phenylcyclopentane-1,3-diamine
CID 178138504
1-benzyl-N-(2-methylcyclohexyl)pyrazol-4-amine
CID 60931524
N-(1-benzylpyrrolidin-3-yl)-1-ethylpyrazol-4-amine
CID 43543283
5-amino-N-(1-benzylpyrazol-4-yl)pyrazolidine-3-carboxamide
CID 77042902
3-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1,3-diamine
CID 79461381
3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine (CID 79462283) is 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine is NC1CCC(Nc2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
The InChIKey is BWVFNQYKSJLMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-13-6-7-14(8-13)18-15-9-17-19(11-15)10-12-4-2-1-3-5-12/h1-5,9,11,13-14,18H,6-8,10,16H2.
What are the key properties of 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine?
3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-benzylpyrazol-4-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79462283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).