N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine

C20H18FN5 — CID 91262497

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine
SMILESCCc1cc(Nc2nc(Cc3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H18FN5/c1-2-15-12-19(26-25-15)24-20-16-5-3-4-6-17(16)22-18(23-20)11-13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3,(H2,22,23,24,25,26)
InChIKeyKWNXBNGSGFNBHG-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.39
Rot. Bonds5

About N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine

N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine (PubChem CID 91262497) has the molecular formula C20H18FN5 and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine
PubChem CID91262497
Molecular FormulaC20H18FN5
Molecular Weight347.40 g/mol
Exact Mass347.15
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine
SMILESCCc1cc(Nc2nc(Cc3ccc(F)cc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H18FN5/c1-2-15-12-19(26-25-15)24-20-16-5-3-4-6-17(16)22-18(23-20)11-13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3,(H2,22,23,24,25,26)
InChIKeyKWNXBNGSGFNBHG-UHFFFAOYSA-N
XLogP4.39
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluorophenyl)-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methyl]carbamic acid
CID 68787141
2-N-[(3-fluorophenyl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170000713
[4-[(5-ethyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 46893654
2-N-(2-fluorophenyl)-4-N-(5-methyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine
CID 170946131
3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614046
(3S)-3-(5-fluoro-2-pyridinyl)-3-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]propanenitrile
CID 66614048
2-(3-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]ethanol
CID 91267082
2-N-ethyl-4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylquinazoline-2,4-diamine
CID 154453023
N-benzyl-2-[(3,4-difluorophenyl)methyl]quinazolin-4-amine
CID 90896586
N-(2-amino-4-fluorophenyl)-4-[[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]sulfanylmethyl]benzamide
CID 166810134
2-benzyl-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 69221588
(S)-(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]methanol sulfate
CID 71727288

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine (CID 91262497) is N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine is CCc1cc(Nc2nc(Cc3ccc(F)cc3)nc3ccccc23)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine?
The InChIKey is KWNXBNGSGFNBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5/c1-2-15-12-19(26-25-15)24-20-16-5-3-4-6-17(16)22-18(23-20)11-13-7-9-14(21)10-8-13/h3-10,12H,2,11H2,1H3,(H2,22,23,24,25,26).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine?
N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine has a molecular weight of 347.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-2-[(4-fluorophenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 91262497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).