(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine

C15H20FN3O — CID 95127174

IUPAC(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
SMILESCOCc1cc(CN[C@@H](C)Cc2ccccc2F)n[nH]1
InChIInChI=1S/C15H20FN3O/c1-11(7-12-5-3-4-6-15(12)16)17-9-13-8-14(10-20-2)19-18-13/h3-6,8,11,17H,7,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyCGXIMOCHBGMSJL-NSHDSACASA-N
MW277.34 g/mol
LogP2.42
Rot. Bonds7

About (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine

(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine (PubChem CID 95127174) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
PubChem CID95127174
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine
SMILESCOCc1cc(CN[C@@H](C)Cc2ccccc2F)n[nH]1
InChIInChI=1S/C15H20FN3O/c1-11(7-12-5-3-4-6-15(12)16)17-9-13-8-14(10-20-2)19-18-13/h3-6,8,11,17H,7,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1
InChIKeyCGXIMOCHBGMSJL-NSHDSACASA-N
XLogP2.42
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine (CID 95127174) is (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine is COCc1cc(CN[C@@H](C)Cc2ccccc2F)n[nH]1.
What is the InChIKey of (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine?
The InChIKey is CGXIMOCHBGMSJL-NSHDSACASA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(7-12-5-3-4-6-15(12)16)17-9-13-8-14(10-20-2)19-18-13/h3-6,8,11,17H,7,9-10H2,1-2H3,(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine?
(2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine has a molecular weight of 277.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 95127174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).