[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone

C19H15N5O — CID 141483894

IUPAC[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone
SMILESCc1cc(Nc2nc(C(=O)c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15N5O/c1-12-11-16(24-23-12)21-18-14-9-5-6-10-15(14)20-19(22-18)17(25)13-7-3-2-4-8-13/h2-11H,1H3,(H2,20,21,22,23,24)
InChIKeyKKGNBWKFSREBTQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.64
Rot. Bonds4

About [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone

[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone (PubChem CID 141483894) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone
PubChem CID141483894
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone
SMILESCc1cc(Nc2nc(C(=O)c3ccccc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C19H15N5O/c1-12-11-16(24-23-12)21-18-14-9-5-6-10-15(14)20-19(22-18)17(25)13-7-3-2-4-8-13/h2-11H,1H3,(H2,20,21,22,23,24)
InChIKeyKKGNBWKFSREBTQ-UHFFFAOYSA-N
XLogP3.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone?
The IUPAC name of [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone (CID 141483894) is [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone.
What is the SMILES notation for [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone?
The canonical SMILES for [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone is Cc1cc(Nc2nc(C(=O)c3ccccc3)nc3ccccc23)n[nH]1.
What is the InChIKey of [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone?
The InChIKey is KKGNBWKFSREBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-12-11-16(24-23-12)21-18-14-9-5-6-10-15(14)20-19(22-18)17(25)13-7-3-2-4-8-13/h2-11H,1H3,(H2,20,21,22,23,24).
What are the key properties of [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone?
[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone has a molecular weight of 329.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-phenylmethanone is sourced from PubChem (CID 141483894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).