3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine

C14H16FN3O — CID 117407229

IUPAC3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)ccc2OCC2CC2)cc1N
InChIInChI=1S/C14H16FN3O/c1-18-14(16)7-12(17-18)11-6-10(15)4-5-13(11)19-8-9-2-3-9/h4-7,9H,2-3,8,16H2,1H3
InChIKeySQSULPIWDYDXEV-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.60
Rot. Bonds4

About 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine

3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine (PubChem CID 117407229) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
PubChem CID117407229
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)ccc2OCC2CC2)cc1N
InChIInChI=1S/C14H16FN3O/c1-18-14(16)7-12(17-18)11-6-10(15)4-5-13(11)19-8-9-2-3-9/h4-7,9H,2-3,8,16H2,1H3
InChIKeySQSULPIWDYDXEV-UHFFFAOYSA-N
XLogP2.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
CID 117440376
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
[5-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117446543
2-(cyclopropylmethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 145227609
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
1-[2-(cyclopropylmethoxy)-5-fluorophenyl]cyclopropan-1-amine
CID 84787922
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]butan-1-amine
CID 117347326
2-[5-[2-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylimidazol-4-yl]-4-(5-iodo-1-methyltriazol-4-yl)pyridine
CID 145046249
2-(cyclopropylmethoxy)-4-fluorobenzamide
CID 70194943
(1S)-1-[2-(cyclopropylmethoxy)-4-fluorophenyl]ethanol
CID 78932472
(E)-3-[2-(cyclopropylmethoxy)-5-fluorophenyl]prop-2-en-1-amine
CID 117315957

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine (CID 117407229) is 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2cc(F)ccc2OCC2CC2)cc1N.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
The InChIKey is SQSULPIWDYDXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18-14(16)7-12(17-18)11-6-10(15)4-5-13(11)19-8-9-2-3-9/h4-7,9H,2-3,8,16H2,1H3.
What are the key properties of 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine has a molecular weight of 261.30 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117407229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).