2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine

C15H18FN3 — CID 97086095

IUPAC2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESC[C@@H](C1CC1)n1nccc1NCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-11(13-4-5-13)19-15(8-9-18-19)17-10-12-2-6-14(16)7-3-12/h2-3,6-9,11,13,17H,4-5,10H2,1H3/t11-/m0/s1
InChIKeyUQKPZXUNCYQNDF-NSHDSACASA-N
MW259.33 g/mol
LogP3.61
Rot. Bonds5

About 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine

2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine (PubChem CID 97086095) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
PubChem CID97086095
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
SMILESC[C@@H](C1CC1)n1nccc1NCc1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-11(13-4-5-13)19-15(8-9-18-19)17-10-12-2-6-14(16)7-3-12/h2-3,6-9,11,13,17H,4-5,10H2,1H3/t11-/m0/s1
InChIKeyUQKPZXUNCYQNDF-NSHDSACASA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine (CID 97086095) is 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine is C[C@@H](C1CC1)n1nccc1NCc1ccc(F)cc1.
What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
The InChIKey is UQKPZXUNCYQNDF-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN3/c1-11(13-4-5-13)19-15(8-9-18-19)17-10-12-2-6-14(16)7-3-12/h2-3,6-9,11,13,17H,4-5,10H2,1H3/t11-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine?
2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine has a molecular weight of 259.33 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclopropylethyl]-N-[(4-fluorophenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 97086095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).