methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine

C25H32N12 — CID 160573559

IUPACmethane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine
SMILESC.C=CC#N.NC1=NN(c2cccnc2)CC1.NNc1cccnc1.Nc1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H10N4.C8H8N4.C5H7N3.C3H3N.CH4/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;6-8-5-2-1-3-7-4-5;1-2-3-4;/h1-2,4,6H,3,5H2,(H2,9,11);1-6H,(H2,9,11);1-4,8H,6H2;2H,1H2;1H4
InChIKeyRAVSVIBBNPKHFI-UHFFFAOYSA-N
MW500.62 g/mol
LogP3.11
Rot. Bonds3

About methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine

methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine (PubChem CID 160573559) has the molecular formula C25H32N12 and a molecular weight of 500.62 g/mol. Its IUPAC name is methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine.

Molecular Properties

Compound Namemethane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine
PubChem CID160573559
Molecular FormulaC25H32N12
Molecular Weight500.62 g/mol
Exact Mass500.29
IUPAC Namemethane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine
SMILESC.C=CC#N.NC1=NN(c2cccnc2)CC1.NNc1cccnc1.Nc1ccn(-c2cccnc2)n1
InChIInChI=1S/C8H10N4.C8H8N4.C5H7N3.C3H3N.CH4/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;6-8-5-2-1-3-7-4-5;1-2-3-4;/h1-2,4,6H,3,5H2,(H2,9,11);1-6H,(H2,9,11);1-4,8H,6H2;2H,1H2;1H4
InChIKeyRAVSVIBBNPKHFI-UHFFFAOYSA-N
XLogP3.11
TPSA185.97 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(bis-pyridin-2-ylmethylamino)methyl]-4-[(3,4-difluorophenyl)hydrazono]-4H-pyrazol-3-ylamine
CID 136352475
N-pyridin-3-yl-5-(5-pyridin-2-yltetrazol-2-yl)pyridin-3-amine
CID 9879948
1-[[6-[2-[6-[(4,5-Diaminopyrazol-1-yl)methyl]-2-pyridinyl]ethyl]-2-pyridinyl]methyl]pyrazole-4,5-diamine
CID 12011903
1-(Pyridin-3-yl)-1H-pyrazol-3-amine
CID 63705024
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-6-pyrazol-1-ylpyridin-2-amine
CID 69235237
1-(4-Aminobutyl)-4-[2-(1-hexylpyridin-1-ium-3-yl)hydrazinyl]pyrazol-5-amine
CID 122550860
3-imino-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]-3-(4-pyridin-3-ylpiperazin-1-yl)propanimidamide
CID 123223348
3-imino-N'-(5-methyl-1H-pyrazol-3-yl)-3-(4-pyridin-3-ylpiperazin-1-yl)propanimidamide
CID 123455759
N-[4-(2-pyridin-3-ylhydrazinyl)-1H-pyrazol-5-yl]ethanimine
CID 123578456
1-N'-[2-[methyl(pyridin-3-yl)amino]ethyl]-3-N'-[5-[(E)-prop-1-enyl]-1H-pyrazol-3-yl]propanediimidamide
CID 123809859
6-[2-(5-Aminopyrazolo[1,5-a]pyridin-2-yl)hydrazinyl]pyrazolo[1,5-a]pyridin-2-amine
CID 123814214
4-[(4-Isocyano-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-3-methyl-1-pyridin-2-ylpyrazol-5-amine
CID 136113769

Frequently Asked Questions

What is the IUPAC name of methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?
The IUPAC name of methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine (CID 160573559) is methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine.
What is the SMILES notation for methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?
The canonical SMILES for methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine is C.C=CC#N.NC1=NN(c2cccnc2)CC1.NNc1cccnc1.Nc1ccn(-c2cccnc2)n1.
What is the InChIKey of methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?
The InChIKey is RAVSVIBBNPKHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4.C8H8N4.C5H7N3.C3H3N.CH4/c2*9-8-3-5-12(11-8)7-2-1-4-10-6-7;6-8-5-2-1-3-7-4-5;1-2-3-4;/h1-2,4,6H,3,5H2,(H2,9,11);1-6H,(H2,9,11);1-4,8H,6H2;2H,1H2;1H4.
What are the key properties of methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine?
methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine has a molecular weight of 500.62 g/mol, XLogP of 3.11, 3 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methane;prop-2-enenitrile;2-pyridin-3-yl-3,4-dihydropyrazol-5-amine;pyridin-3-ylhydrazine;1-pyridin-3-ylpyrazol-3-amine is sourced from PubChem (CID 160573559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).