5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine

C14H12FN5 — CID 151784977

IUPAC5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ncncc1-c1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C14H12FN5/c15-12-3-1-2-10(4-12)7-20-8-11(5-19-20)13-6-17-9-18-14(13)16/h1-6,8-9H,7H2,(H2,16,17,18)
InChIKeyRVKIVIBASDNMRF-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.11
Rot. Bonds3

About 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine

5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine (PubChem CID 151784977) has the molecular formula C14H12FN5 and a molecular weight of 269.28 g/mol. Its IUPAC name is 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
PubChem CID151784977
Molecular FormulaC14H12FN5
Molecular Weight269.28 g/mol
Exact Mass269.11
IUPAC Name5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine
SMILESNc1ncncc1-c1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C14H12FN5/c15-12-3-1-2-10(4-12)7-20-8-11(5-19-20)13-6-17-9-18-14(13)16/h1-6,8-9H,7H2,(H2,16,17,18)
InChIKeyRVKIVIBASDNMRF-UHFFFAOYSA-N
XLogP2.11
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
The IUPAC name of 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine (CID 151784977) is 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
The canonical SMILES for 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine is Nc1ncncc1-c1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
The InChIKey is RVKIVIBASDNMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5/c15-12-3-1-2-10(4-12)7-20-8-11(5-19-20)13-6-17-9-18-14(13)16/h1-6,8-9H,7H2,(H2,16,17,18).
What are the key properties of 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine?
5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine has a molecular weight of 269.28 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 151784977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).