N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C20H16F3N5O — CID 10135542

IUPACN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H16F3N5O/c1-29-11-12-10-17(28-27-12)25-19-14-7-3-5-9-16(14)24-18(26-19)13-6-2-4-8-15(13)20(21,22)23/h2-10H,11H2,1H3,(H2,24,25,26,27,28)
InChIKeyZGEPSBTXLYDSFA-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.93
Rot. Bonds5

About N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 10135542) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID10135542
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1
InChIInChI=1S/C20H16F3N5O/c1-29-11-12-10-17(28-27-12)25-19-14-7-3-5-9-16(14)24-18(26-19)13-6-2-4-8-15(13)20(21,22)23/h2-10H,11H2,1H3,(H2,24,25,26,27,28)
InChIKeyZGEPSBTXLYDSFA-UHFFFAOYSA-N
XLogP4.93
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine with MolForge

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Related Compounds

(S)-(4-Fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833308
Ac-430
CID 46892373
(R)-(4-fluorophenyl)(4-((5-methyl-1H-pyrazol-3-yl)amino)quinazolin-2-yl)methanol
CID 56833309
2-benzyl-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 145980364
7-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 145986550
8-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 145987193
2-benzyl-8-methoxy-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 145987787
2-(4-fluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 70687546
2-(2,4-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 9902356
2-(3,5-difluorophenyl)-N-(5-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 9945737
N-(5-methyl-1H-pyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 9947483
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 9947542

Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 10135542) is N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is COCc1cc(Nc2nc(-c3ccccc3C(F)(F)F)nc3ccccc23)n[nH]1.
What is the InChIKey of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is ZGEPSBTXLYDSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c1-29-11-12-10-17(28-27-12)25-19-14-7-3-5-9-16(14)24-18(26-19)13-6-2-4-8-15(13)20(21,22)23/h2-10H,11H2,1H3,(H2,24,25,26,27,28).
What are the key properties of N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 399.38 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1H-pyrazol-3-yl]-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 10135542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).