2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline

C15H16N4 — CID 123724803

IUPAC2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline
SMILESCc1cc(-c2nc(C(C)C)c3ccccc3n2)n[nH]1
InChIInChI=1S/C15H16N4/c1-9(2)14-11-6-4-5-7-12(11)16-15(17-14)13-8-10(3)18-19-13/h4-9H,1-3H3,(H,18,19)
InChIKeyCMRFCUWGCXSDET-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.45
Rot. Bonds2

About 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline

2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline (PubChem CID 123724803) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline
PubChem CID123724803
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline
SMILESCc1cc(-c2nc(C(C)C)c3ccccc3n2)n[nH]1
InChIInChI=1S/C15H16N4/c1-9(2)14-11-6-4-5-7-12(11)16-15(17-14)13-8-10(3)18-19-13/h4-9H,1-3H3,(H,18,19)
InChIKeyCMRFCUWGCXSDET-UHFFFAOYSA-N
XLogP3.45
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline
CID 134380338
2-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-c]quinazoline
CID 19583151
6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline
CID 165007028
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
2-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 135804529
4-(4-methylquinolin-2-yl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 114755549
ethane;3-propan-2-yl-2H-indazole
CID 167622577
2-methyl-N-[(2-methylquinolin-4-yl)methyl]pentan-3-amine
CID 78942769
N-methyl-3-(2-methylquinolin-4-yl)butan-2-amine
CID 63199652
1-methyl-3-(5-methyl-1H-pyrazol-3-yl)indole
CID 12006818
3-methyl-1-(2-methylquinolin-4-yl)butan-2-ol
CID 63205399
(2-methylquinolin-4-yl)methanethiol
CID 79885955

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline?
The IUPAC name of 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline (CID 123724803) is 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline is Cc1cc(-c2nc(C(C)C)c3ccccc3n2)n[nH]1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline?
The InChIKey is CMRFCUWGCXSDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9(2)14-11-6-4-5-7-12(11)16-15(17-14)13-8-10(3)18-19-13/h4-9H,1-3H3,(H,18,19).
What are the key properties of 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline?
2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline has a molecular weight of 252.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline is sourced from PubChem (CID 123724803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).