(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine

C9H12N4 — CID 82072815

IUPAC(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine
SMILESNCC1=NNC(c2cccnc2)C1
InChIInChI=1S/C9H12N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-3,6,9,13H,4-5,10H2
InChIKeyQQVXTWNASUOUKW-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.43
Rot. Bonds2

About (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine

(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine (PubChem CID 82072815) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine
PubChem CID82072815
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine
SMILESNCC1=NNC(c2cccnc2)C1
InChIInChI=1S/C9H12N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-3,6,9,13H,4-5,10H2
InChIKeyQQVXTWNASUOUKW-UHFFFAOYSA-N
XLogP0.43
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine?
The IUPAC name of (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine (CID 82072815) is (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine.
What is the SMILES notation for (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine?
The canonical SMILES for (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine is NCC1=NNC(c2cccnc2)C1.
What is the InChIKey of (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine?
The InChIKey is QQVXTWNASUOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c10-5-8-4-9(13-12-8)7-2-1-3-11-6-7/h1-3,6,9,13H,4-5,10H2.
What are the key properties of (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine?
(5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-pyridin-3-yl-4,5-dihydro-1H-pyrazol-3-yl)methanamine is sourced from PubChem (CID 82072815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).