4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine

C14H12FN5 — CID 22037701

IUPAC4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN5/c1-16-14-17-7-6-12(19-14)11-8-18-20-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,18,20)(H,16,17,19)
InChIKeyQPEZZXQRVCTJJN-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.71
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine

4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine (PubChem CID 22037701) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
PubChem CID22037701
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1
InChIInChI=1S/C14H12FN5/c1-16-14-17-7-6-12(19-14)11-8-18-20-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,18,20)(H,16,17,19)
InChIKeyQPEZZXQRVCTJJN-UHFFFAOYSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine (CID 22037701) is 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2cn[nH]c2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
The InChIKey is QPEZZXQRVCTJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c1-16-14-17-7-6-12(19-14)11-8-18-20-13(11)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,18,20)(H,16,17,19).
What are the key properties of 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine?
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine has a molecular weight of 269.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 22037701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).