3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol

C15H17N5O — CID 163624490

IUPAC3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1cc(-n2cccn2)nc(C2=CC=CC2)n1
InChIInChI=1S/C15H17N5O/c21-10-4-7-16-13-11-14(20-9-3-8-17-20)19-15(18-13)12-5-1-2-6-12/h1-3,5,8-9,11,21H,4,6-7,10H2,(H,16,18,19)
InChIKeyHQXLLEONCHDWPC-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.80
Rot. Bonds6

About 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol

3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol (PubChem CID 163624490) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol
PubChem CID163624490
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol
SMILESOCCCNc1cc(-n2cccn2)nc(C2=CC=CC2)n1
InChIInChI=1S/C15H17N5O/c21-10-4-7-16-13-11-14(20-9-3-8-17-20)19-15(18-13)12-5-1-2-6-12/h1-3,5,8-9,11,21H,4,6-7,10H2,(H,16,18,19)
InChIKeyHQXLLEONCHDWPC-UHFFFAOYSA-N
XLogP1.80
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol with MolForge

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Related Compounds

(Z)-2-[(Z)-but-1-enyl]-N'-(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)but-1-ene-1,4-diamine;ethane
CID 143065943
N'-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 99980110
N-benzyl-2-phenyl-6-pyrazol-1-ylpyrimidin-4-amine
CID 796111
2-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 56699359
3-methyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]butanamide
CID 121072306
5-cyclopropyl-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122289896
5-[[4-(ethylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324134
5-bromo-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122289847
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
5-(2-pyrazol-1-ylanilino)pentan-1-ol
CID 111770347
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 122289833
N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]-1,2-dihydroacenaphthylene-3-sulfonamide
CID 30868129

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol?
The IUPAC name of 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol (CID 163624490) is 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol is OCCCNc1cc(-n2cccn2)nc(C2=CC=CC2)n1.
What is the InChIKey of 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol?
The InChIKey is HQXLLEONCHDWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-10-4-7-16-13-11-14(20-9-3-8-17-20)19-15(18-13)12-5-1-2-6-12/h1-3,5,8-9,11,21H,4,6-7,10H2,(H,16,18,19).
What are the key properties of 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol?
3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopenta-1,3-dien-1-yl-6-pyrazol-1-ylpyrimidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 163624490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).