3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine

C15H20N4 — CID 79461364

IUPAC3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C15H20N4/c16-13-4-7-15(10-13)18-14-5-2-12(3-6-14)11-19-9-1-8-17-19/h1-3,5-6,8-9,13,15,18H,4,7,10-11,16H2
InChIKeyXJXLHXGSUSCDBP-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.22
Rot. Bonds4

About 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine

3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine (PubChem CID 79461364) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
PubChem CID79461364
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C15H20N4/c16-13-4-7-15(10-13)18-14-5-2-12(3-6-14)11-19-9-1-8-17-19/h1-3,5-6,8-9,13,15,18H,4,7,10-11,16H2
InChIKeyXJXLHXGSUSCDBP-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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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine?
The IUPAC name of 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine (CID 79461364) is 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine is NC1CCC(Nc2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine?
The InChIKey is XJXLHXGSUSCDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c16-13-4-7-15(10-13)18-14-5-2-12(3-6-14)11-19-9-1-8-17-19/h1-3,5-6,8-9,13,15,18H,4,7,10-11,16H2.
What are the key properties of 3-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine?
3-N-[4-(pyrazol-1-ylmethyl)phenyl]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-[4-(pyrazol-1-ylmethyl)phenyl]cyclopentane-1,3-diamine is sourced from PubChem (CID 79461364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).