N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide

C19H25FN6O — CID 47842768

IUPACN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C19H25FN6O/c1-13(2)25(3)12-18(27)23-10-4-5-17-16(11-21)19(22)26(24-17)15-8-6-14(20)7-9-15/h6-9,13H,4-5,10,12,22H2,1-3H3,(H,23,27)
InChIKeyWYOUBYKZIGLJQP-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.85
Rot. Bonds8

About N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 47842768) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID47842768
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC NameN-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N
InChIInChI=1S/C19H25FN6O/c1-13(2)25(3)12-18(27)23-10-4-5-17-16(11-21)19(22)26(24-17)15-8-6-14(20)7-9-15/h6-9,13H,4-5,10,12,22H2,1-3H3,(H,23,27)
InChIKeyWYOUBYKZIGLJQP-UHFFFAOYSA-N
XLogP1.85
TPSA99.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 47842768) is N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(C)N(C)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N.
What is the InChIKey of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is WYOUBYKZIGLJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-13(2)25(3)12-18(27)23-10-4-5-17-16(11-21)19(22)26(24-17)15-8-6-14(20)7-9-15/h6-9,13H,4-5,10,12,22H2,1-3H3,(H,23,27).
What are the key properties of N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 372.45 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 47842768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).