4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide

C10H16F2N4O2 — CID 132586555

IUPAC4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(CC(F)F)cc1N
InChIInChI=1S/C10H16F2N4O2/c1-18-4-2-3-14-10(17)9-7(13)5-16(15-9)6-8(11)12/h5,8H,2-4,6,13H2,1H3,(H,14,17)
InChIKeyWSXXYRYTKSHYGC-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.50
Rot. Bonds7

About 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide

4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide (PubChem CID 132586555) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide
PubChem CID132586555
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide
SMILESCOCCCNC(=O)c1nn(CC(F)F)cc1N
InChIInChI=1S/C10H16F2N4O2/c1-18-4-2-3-14-10(17)9-7(13)5-16(15-9)6-8(11)12/h5,8H,2-4,6,13H2,1H3,(H,14,17)
InChIKeyWSXXYRYTKSHYGC-UHFFFAOYSA-N
XLogP0.50
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide (CID 132586555) is 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide is COCCCNC(=O)c1nn(CC(F)F)cc1N.
What is the InChIKey of 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide?
The InChIKey is WSXXYRYTKSHYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-18-4-2-3-14-10(17)9-7(13)5-16(15-9)6-8(11)12/h5,8H,2-4,6,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide?
4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide has a molecular weight of 262.26 g/mol, XLogP of 0.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,2-difluoroethyl)-N-(3-methoxypropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 132586555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).