4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine

C8H11N5 — CID 129152816

IUPAC4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine
SMILESNC1=CNCC=C1Nc1ccn[nH]1
InChIInChI=1S/C8H11N5/c9-6-5-10-3-1-7(6)12-8-2-4-11-13-8/h1-2,4-5,10H,3,9H2,(H2,11,12,13)
InChIKeyWNPUBRWFKDSGFI-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.11
Rot. Bonds2

About 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine

4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine (PubChem CID 129152816) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine.

Molecular Properties

Compound Name4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine
PubChem CID129152816
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine
SMILESNC1=CNCC=C1Nc1ccn[nH]1
InChIInChI=1S/C8H11N5/c9-6-5-10-3-1-7(6)12-8-2-4-11-13-8/h1-2,4-5,10H,3,9H2,(H2,11,12,13)
InChIKeyWNPUBRWFKDSGFI-UHFFFAOYSA-N
XLogP0.11
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine?
The IUPAC name of 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine (CID 129152816) is 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine.
What is the SMILES notation for 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine?
The canonical SMILES for 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine is NC1=CNCC=C1Nc1ccn[nH]1.
What is the InChIKey of 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine?
The InChIKey is WNPUBRWFKDSGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-6-5-10-3-1-7(6)12-8-2-4-11-13-8/h1-2,4-5,10H,3,9H2,(H2,11,12,13).
What are the key properties of 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine?
4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine has a molecular weight of 177.21 g/mol, XLogP of 0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-pyrazol-5-yl)-1,2-dihydropyridine-4,5-diamine is sourced from PubChem (CID 129152816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).