4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine

C15H20FN3 — CID 117407893

IUPAC4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
SMILESCCC(CC)c1ccc(-c2cnn(C)c2N)cc1F
InChIInChI=1S/C15H20FN3/c1-4-10(5-2)12-7-6-11(8-14(12)16)13-9-18-19(3)15(13)17/h6-10H,4-5,17H2,1-3H3
InChIKeyDULCLMKKXOPMDE-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.71
Rot. Bonds4

About 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine

4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117407893) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
PubChem CID117407893
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
SMILESCCC(CC)c1ccc(-c2cnn(C)c2N)cc1F
InChIInChI=1S/C15H20FN3/c1-4-10(5-2)12-7-6-11(8-14(12)16)13-9-18-19(3)15(13)17/h6-10H,4-5,17H2,1-3H3
InChIKeyDULCLMKKXOPMDE-UHFFFAOYSA-N
XLogP3.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(3-fluoro-4-phenylmethoxyphenyl)-1-methylpyrazol-5-amine
CID 117478888
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
CID 117390611
3-(3-fluoro-4-pentan-3-ylphenyl)-1,2-oxazol-5-amine
CID 117373692
4-[3-(difluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319243
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine (CID 117407893) is 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine is CCC(CC)c1ccc(-c2cnn(C)c2N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is DULCLMKKXOPMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-4-10(5-2)12-7-6-11(8-14(12)16)13-9-18-19(3)15(13)17/h6-10H,4-5,17H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine?
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 261.34 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117407893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).