1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione

C10H12FN5O2 — CID 55218511

IUPAC1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ccn(CCCn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H12FN5O2/c11-7-6-15(10(18)13-9(7)17)3-1-4-16-5-2-8(12)14-16/h2,5-6H,1,3-4H2,(H2,12,14)(H,13,17,18)
InChIKeyUHPCKWWJRAJHOL-UHFFFAOYSA-N
MW253.24 g/mol
LogP-0.46
Rot. Bonds4

About 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione

1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 55218511) has the molecular formula C10H12FN5O2 and a molecular weight of 253.24 g/mol. Its IUPAC name is 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione
PubChem CID55218511
Molecular FormulaC10H12FN5O2
Molecular Weight253.24 g/mol
Exact Mass253.10
IUPAC Name1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ccn(CCCn2cc(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H12FN5O2/c11-7-6-15(10(18)13-9(7)17)3-1-4-16-5-2-8(12)14-16/h2,5-6H,1,3-4H2,(H2,12,14)(H,13,17,18)
InChIKeyUHPCKWWJRAJHOL-UHFFFAOYSA-N
XLogP-0.46
TPSA98.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione (CID 55218511) is 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione is Nc1ccn(CCCn2cc(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is UHPCKWWJRAJHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5O2/c11-7-6-15(10(18)13-9(7)17)3-1-4-16-5-2-8(12)14-16/h2,5-6H,1,3-4H2,(H2,12,14)(H,13,17,18).
What are the key properties of 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione?
1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 253.24 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopyrazol-1-yl)propyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 55218511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).