N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine

C19H15F2N5 — CID 56557436

IUPACN-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(Nc2cnn(Cc3ccccc3)c2)c2ccccc2n1
InChIInChI=1S/C19H15F2N5/c20-17(21)19-24-16-9-5-4-8-15(16)18(25-19)23-14-10-22-26(12-14)11-13-6-2-1-3-7-13/h1-10,12,17H,11H2,(H,23,24,25)
InChIKeyODNZBSVDIRUMBU-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.56
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine

N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine (PubChem CID 56557436) has the molecular formula C19H15F2N5 and a molecular weight of 351.36 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
PubChem CID56557436
Molecular FormulaC19H15F2N5
Molecular Weight351.36 g/mol
Exact Mass351.13
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
SMILESFC(F)c1nc(Nc2cnn(Cc3ccccc3)c2)c2ccccc2n1
InChIInChI=1S/C19H15F2N5/c20-17(21)19-24-16-9-5-4-8-15(16)18(25-19)23-14-10-22-26(12-14)11-13-6-2-1-3-7-13/h1-10,12,17H,11H2,(H,23,24,25)
InChIKeyODNZBSVDIRUMBU-UHFFFAOYSA-N
XLogP4.56
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-2-(difluoromethyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]quinazolin-4-amine
CID 166365756
N-[1-(3,5-dichloro-2-pyridinyl)pyrazol-4-yl]-2-(difluoromethyl)quinazolin-4-amine
CID 133377215
N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
CID 164643893
N-(1-benzylpyrazol-4-yl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 60506387
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-[1-(1-benzylpyrazol-4-yl)ethyl]quinazolin-4-amine
CID 133416813
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
4-N-(1-methylpyrazol-4-yl)quinazoline-2,4-diamine
CID 80849841
2-[(1-benzylpyrazol-4-yl)amino]-3-fluorobenzoic acid
CID 110452897
N-cyclopent-3-en-1-yl-2-(difluoromethyl)quinazolin-4-amine
CID 133362263
1-(1-benzylpyrazol-4-yl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19342547

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine (CID 56557436) is N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine is FC(F)c1nc(Nc2cnn(Cc3ccccc3)c2)c2ccccc2n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
The InChIKey is ODNZBSVDIRUMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5/c20-17(21)19-24-16-9-5-4-8-15(16)18(25-19)23-14-10-22-26(12-14)11-13-6-2-1-3-7-13/h1-10,12,17H,11H2,(H,23,24,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine?
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine has a molecular weight of 351.36 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 56557436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).