1-[(2R)-pentan-2-yl]pyrazol-4-amine

C8H15N3 — CID 95212149

IUPAC1-[(2R)-pentan-2-yl]pyrazol-4-amine
SMILESCCC[C@@H](C)n1cc(N)cn1
InChIInChI=1S/C8H15N3/c1-3-4-7(2)11-6-8(9)5-10-11/h5-7H,3-4,9H2,1-2H3/t7-/m1/s1
InChIKeyHDAYTWMIVTUOIK-SSDOTTSWSA-N
MW153.23 g/mol
LogP1.83
Rot. Bonds3

About 1-[(2R)-pentan-2-yl]pyrazol-4-amine

1-[(2R)-pentan-2-yl]pyrazol-4-amine (PubChem CID 95212149) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-[(2R)-pentan-2-yl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[(2R)-pentan-2-yl]pyrazol-4-amine
PubChem CID95212149
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-[(2R)-pentan-2-yl]pyrazol-4-amine
SMILESCCC[C@@H](C)n1cc(N)cn1
InChIInChI=1S/C8H15N3/c1-3-4-7(2)11-6-8(9)5-10-11/h5-7H,3-4,9H2,1-2H3/t7-/m1/s1
InChIKeyHDAYTWMIVTUOIK-SSDOTTSWSA-N
XLogP1.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-pentan-2-yl]pyrazol-4-amine?
The IUPAC name of 1-[(2R)-pentan-2-yl]pyrazol-4-amine (CID 95212149) is 1-[(2R)-pentan-2-yl]pyrazol-4-amine.
What is the SMILES notation for 1-[(2R)-pentan-2-yl]pyrazol-4-amine?
The canonical SMILES for 1-[(2R)-pentan-2-yl]pyrazol-4-amine is CCC[C@@H](C)n1cc(N)cn1.
What is the InChIKey of 1-[(2R)-pentan-2-yl]pyrazol-4-amine?
The InChIKey is HDAYTWMIVTUOIK-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-4-7(2)11-6-8(9)5-10-11/h5-7H,3-4,9H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-pentan-2-yl]pyrazol-4-amine?
1-[(2R)-pentan-2-yl]pyrazol-4-amine has a molecular weight of 153.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-pentan-2-yl]pyrazol-4-amine is sourced from PubChem (CID 95212149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).