1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine

C10H12FN5 — CID 158981209

IUPAC1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine
SMILESCc1nn(-c2cncnc2F)cc1N(C)C
InChIInChI=1S/C10H12FN5/c1-7-9(15(2)3)5-16(14-7)8-4-12-6-13-10(8)11/h4-6H,1-3H3
InChIKeyJPAICUNEAWSVRQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.18
Rot. Bonds2

About 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine

1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine (PubChem CID 158981209) has the molecular formula C10H12FN5 and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine
PubChem CID158981209
Molecular FormulaC10H12FN5
Molecular Weight221.24 g/mol
Exact Mass221.11
IUPAC Name1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine
SMILESCc1nn(-c2cncnc2F)cc1N(C)C
InChIInChI=1S/C10H12FN5/c1-7-9(15(2)3)5-16(14-7)8-4-12-6-13-10(8)11/h4-6H,1-3H3
InChIKeyJPAICUNEAWSVRQ-UHFFFAOYSA-N
XLogP1.18
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine?
The IUPAC name of 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine (CID 158981209) is 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine.
What is the SMILES notation for 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine?
The canonical SMILES for 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine is Cc1nn(-c2cncnc2F)cc1N(C)C.
What is the InChIKey of 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine?
The InChIKey is JPAICUNEAWSVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5/c1-7-9(15(2)3)5-16(14-7)8-4-12-6-13-10(8)11/h4-6H,1-3H3.
What are the key properties of 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine?
1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine has a molecular weight of 221.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropyrimidin-5-yl)-N,N,3-trimethylpyrazol-4-amine is sourced from PubChem (CID 158981209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).