3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine

C19H15FN4 — CID 135894588

IUPAC3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C1Nc2c(-c3ccc(F)cc3)cnn2C(N)=C1c1ccccc1
InChIInChI=1S/C19H15FN4/c1-12-17(14-5-3-2-4-6-14)18(21)24-19(23-12)16(11-22-24)13-7-9-15(20)10-8-13/h2-11,23H,1,21H2
InChIKeyNGAPLBDCNWGBPM-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.91
Rot. Bonds2

About 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 135894588) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID135894588
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C1Nc2c(-c3ccc(F)cc3)cnn2C(N)=C1c1ccccc1
InChIInChI=1S/C19H15FN4/c1-12-17(14-5-3-2-4-6-14)18(21)24-19(23-12)16(11-22-24)13-7-9-15(20)10-8-13/h2-11,23H,1,21H2
InChIKeyNGAPLBDCNWGBPM-UHFFFAOYSA-N
XLogP3.91
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-diphenyl-1H-pyrazol-5-amine
CID 4669245
4-(3-methylphenyl)-1-phenyl-1H-pyrazol-5-ylamine
CID 2764841
4-(4-Methylphenyl)-1-phenyl-1H-pyrazol-5-amine
CID 2764845
1-(6-fluoro-2-pyridinyl)-4-phenyl-1H-pyrazol-3-amine
CID 1478415
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764851
4-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4315883
N-(2,4-Difluorophenyl)-N'-[1-(2-fluorobenzyl)-1H-pyrazol-3-YL]urea
CID 2955816
6'-(4-Fluorophenyl)-4,5'-dimethyl-1'-propan-2-ylspiro[cyclohexane-1,4'-pyrazolo[5,4-d]pyrimidine]
CID 9114425
(NE)-N-[(5-amino-1-phenylpyrazol-4-yl)-phenylmethylidene]hydroxylamine
CID 44408608
1-(4-Fluorophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)pyrazol-5-amine
CID 155539931
1-phenyl-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4593193
1-Benzyl-N-(1-(4-fluorophenyl)pyrazol-3-YL)piperidin-4-amine
CID 132010541

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine (CID 135894588) is 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine is C=C1Nc2c(-c3ccc(F)cc3)cnn2C(N)=C1c1ccccc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NGAPLBDCNWGBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-12-17(14-5-3-2-4-6-14)18(21)24-19(23-12)16(11-22-24)13-7-9-15(20)10-8-13/h2-11,23H,1,21H2.
What are the key properties of 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 318.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methylidene-6-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 135894588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).