(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide

C19H27FN4O — CID 119744618

IUPAC(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C19H27FN4O/c1-13(2)10-17(21)19(25)24(3)9-5-8-16-12-18(23-22-16)14-6-4-7-15(20)11-14/h4,6-7,11-13,17H,5,8-10,21H2,1-3H3,(H,22,23)/t17-/m0/s1
InChIKeyVPIUJTOBGYZNMZ-KRWDZBQOSA-N
MW346.45 g/mol
LogP2.98
Rot. Bonds8

About (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide

(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide (PubChem CID 119744618) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
PubChem CID119744618
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide
SMILESCC(C)C[C@H](N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C19H27FN4O/c1-13(2)10-17(21)19(25)24(3)9-5-8-16-12-18(23-22-16)14-6-4-7-15(20)11-14/h4,6-7,11-13,17H,5,8-10,21H2,1-3H3,(H,22,23)/t17-/m0/s1
InChIKeyVPIUJTOBGYZNMZ-KRWDZBQOSA-N
XLogP2.98
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylthiophene-2-carboxamide
CID 87042708
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 60552407
3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
CID 52511917
4-(diethylsulfamoyl)-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55953724
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119744579
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 87042710
3-ethoxy-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-methoxy-N-methylbenzamide
CID 55953206
4-[[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]amino]butanoic acid
CID 122021510
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55954503
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-4-[methoxy(methyl)sulfamoyl]-N-methylbenzamide
CID 55953983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide (CID 119744618) is (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide is CC(C)C[C@H](N)C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide?
The InChIKey is VPIUJTOBGYZNMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-13(2)10-17(21)19(25)24(3)9-5-8-16-12-18(23-22-16)14-6-4-7-15(20)11-14/h4,6-7,11-13,17H,5,8-10,21H2,1-3H3,(H,22,23)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide?
(2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide has a molecular weight of 346.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N,4-dimethylpentanamide is sourced from PubChem (CID 119744618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).