4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine

C17H25N5O — CID 143489039

IUPAC4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine
SMILESC=Cc1c(-c2cnn(C(C)(C)CCC=O)c2)ccnc1N.CN
InChIInChI=1S/C16H20N4O.CH5N/c1-4-13-14(6-8-18-15(13)17)12-10-19-20(11-12)16(2,3)7-5-9-21;1-2/h4,6,8-11H,1,5,7H2,2-3H3,(H2,17,18);2H2,1H3
InChIKeyYKXKGHGQXSUCEZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.46
Rot. Bonds6

About 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine

4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine (PubChem CID 143489039) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine.

Molecular Properties

Compound Name4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine
PubChem CID143489039
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine
SMILESC=Cc1c(-c2cnn(C(C)(C)CCC=O)c2)ccnc1N.CN
InChIInChI=1S/C16H20N4O.CH5N/c1-4-13-14(6-8-18-15(13)17)12-10-19-20(11-12)16(2,3)7-5-9-21;1-2/h4,6,8-11H,1,5,7H2,2-3H3,(H2,17,18);2H2,1H3
InChIKeyYKXKGHGQXSUCEZ-UHFFFAOYSA-N
XLogP2.46
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine 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

2-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-2-methylpropanamide
CID 126663604
3-ethenyl-4-[1-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]pyrazol-4-yl]pyridin-2-amine
CID 129313201
4-[1-(2-methylbutan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 146457338
4-[4-(2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]-4-methylpentanamide
CID 70993346
3-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]butan-1-ol;2,2,2-trifluoroacetic acid
CID 66597387
4-methyl-4-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]pentanenitrile;2,2,2-trifluoroacetic acid
CID 66597217
3-(2-amino-4-methyl-3-pyridinyl)propanal
CID 64522521
5-ethenyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 126663630
2-(1-tert-butylpyrazol-4-yl)-4-ethylpyridine
CID 166393602
4-methyl-4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentane-1-sulfonic acid
CID 90722159
(2-amino-4-prop-2-enyl-3-pyridinyl) formate
CID 175459901
3-ethenyl-4-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 126663634

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine?
The IUPAC name of 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine (CID 143489039) is 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine.
What is the SMILES notation for 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine?
The canonical SMILES for 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine is C=Cc1c(-c2cnn(C(C)(C)CCC=O)c2)ccnc1N.CN.
What is the InChIKey of 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine?
The InChIKey is YKXKGHGQXSUCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.CH5N/c1-4-13-14(6-8-18-15(13)17)12-10-19-20(11-12)16(2,3)7-5-9-21;1-2/h4,6,8-11H,1,5,7H2,2-3H3,(H2,17,18);2H2,1H3.
What are the key properties of 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine?
4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine has a molecular weight of 315.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-amino-3-ethenyl-4-pyridinyl)pyrazol-1-yl]-4-methylpentanal;methanamine is sourced from PubChem (CID 143489039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).