2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one

C14H13F2N5O — CID 118575933

IUPAC2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCC(N)c1nc2cccc(C(F)F)c2c(=O)n1-c1cn[nH]c1
InChIInChI=1S/C14H13F2N5O/c1-7(17)13-20-10-4-2-3-9(12(15)16)11(10)14(22)21(13)8-5-18-19-6-8/h2-7,12H,17H2,1H3,(H,18,19)
InChIKeyIPNPOCNPOSVPPR-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.07
Rot. Bonds3

About 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one

2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one (PubChem CID 118575933) has the molecular formula C14H13F2N5O and a molecular weight of 305.29 g/mol. Its IUPAC name is 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one
PubChem CID118575933
Molecular FormulaC14H13F2N5O
Molecular Weight305.29 g/mol
Exact Mass305.11
IUPAC Name2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one
SMILESCC(N)c1nc2cccc(C(F)F)c2c(=O)n1-c1cn[nH]c1
InChIInChI=1S/C14H13F2N5O/c1-7(17)13-20-10-4-2-3-9(12(15)16)11(10)14(22)21(13)8-5-18-19-6-8/h2-7,12H,17H2,1H3,(H,18,19)
InChIKeyIPNPOCNPOSVPPR-UHFFFAOYSA-N
XLogP2.07
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one 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

3-benzyl-7-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 154815730
2-[(1R)-1-amino-2-[3-(trifluoromethyl)phenyl]ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894301
2-[(1S)-1-amino-2-(4-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 135894362
2-cyclopropyl-6-(1H-pyrazol-4-yl)quinazolin-4(3H)-one
CID 136030688
2-[(1R)-1-amino-2-(3-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136240946
2-[(1R)-1-amino-2-(3,4-difluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136241013
2-[(1S)-1-amino-2-phenylethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136241014
2-[(1R)-1-amino-2-(4-fluorophenyl)ethyl]-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136252259
N-(1H-pyrazol-4-yl)-2-(trifluoromethyl)benzamide
CID 43430659
5-Methyl-3-(1-pyrazol-1-ylpropan-2-yl)quinazolin-4-one
CID 45932431
2-propan-2-yl-8-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 136962285
2-propan-2-yl-6-(1H-pyrazol-4-yl)-3H-quinazolin-4-one;2,2,2-trifluoroacetic acid
CID 136962287

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one?
The IUPAC name of 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one (CID 118575933) is 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one.
What is the SMILES notation for 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one?
The canonical SMILES for 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one is CC(N)c1nc2cccc(C(F)F)c2c(=O)n1-c1cn[nH]c1.
What is the InChIKey of 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one?
The InChIKey is IPNPOCNPOSVPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O/c1-7(17)13-20-10-4-2-3-9(12(15)16)11(10)14(22)21(13)8-5-18-19-6-8/h2-7,12H,17H2,1H3,(H,18,19).
What are the key properties of 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one?
2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one has a molecular weight of 305.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-5-(difluoromethyl)-3-(1H-pyrazol-4-yl)quinazolin-4-one is sourced from PubChem (CID 118575933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).