(3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine

C9H10N4 — CID 11993870

IUPAC(3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine
SMILESNCc1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C9H10N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-4,6H,5,10H2,(H,12,13)
InChIKeyOTHCSWRZZBYQIQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.93
Rot. Bonds2

About (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine

(3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine (PubChem CID 11993870) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine
PubChem CID11993870
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine
SMILESNCc1cc(-c2cccnc2)n[nH]1
InChIInChI=1S/C9H10N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-4,6H,5,10H2,(H,12,13)
InChIKeyOTHCSWRZZBYQIQ-UHFFFAOYSA-N
XLogP0.93
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine?
The IUPAC name of (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine (CID 11993870) is (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine?
The canonical SMILES for (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine is NCc1cc(-c2cccnc2)n[nH]1.
What is the InChIKey of (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine?
The InChIKey is OTHCSWRZZBYQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-4,6H,5,10H2,(H,12,13).
What are the key properties of (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine?
(3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-yl-1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 11993870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).