4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile

C15H11FN6 — CID 155907506

IUPAC4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1-c1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C15H11FN6/c16-12-3-1-2-10(4-12)7-22-8-11(6-21-22)14-13(5-17)15(18)20-9-19-14/h1-4,6,8-9H,7H2,(H2,18,19,20)
InChIKeyVYNWCICHANBKCE-UHFFFAOYSA-N
MW294.29 g/mol
LogP1.98
Rot. Bonds3

About 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile

4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile (PubChem CID 155907506) has the molecular formula C15H11FN6 and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
PubChem CID155907506
Molecular FormulaC15H11FN6
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)ncnc1-c1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C15H11FN6/c16-12-3-1-2-10(4-12)7-22-8-11(6-21-22)14-13(5-17)15(18)20-9-19-14/h1-4,6,8-9H,7H2,(H2,18,19,20)
InChIKeyVYNWCICHANBKCE-UHFFFAOYSA-N
XLogP1.98
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile (CID 155907506) is 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile is N#Cc1c(N)ncnc1-c1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
The InChIKey is VYNWCICHANBKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6/c16-12-3-1-2-10(4-12)7-22-8-11(6-21-22)14-13(5-17)15(18)20-9-19-14/h1-4,6,8-9H,7H2,(H2,18,19,20).
What are the key properties of 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile?
4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile has a molecular weight of 294.29 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155907506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).