3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide

C19H24FN7O — CID 55811715

IUPAC3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C19H24FN7O/c1-12(2)10-26-14(4)16(13(3)23-26)6-8-19(28)22-18-9-15(5-7-17(18)20)27-11-21-24-25-27/h5,7,9,11-12H,6,8,10H2,1-4H3,(H,22,28)
InChIKeyPKSLTRYOTZCEGY-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.84
Rot. Bonds7

About 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide (PubChem CID 55811715) has the molecular formula C19H24FN7O and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
PubChem CID55811715
Molecular FormulaC19H24FN7O
Molecular Weight385.45 g/mol
Exact Mass385.20
IUPAC Name3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
SMILESCc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-n2cnnn2)ccc1F
InChIInChI=1S/C19H24FN7O/c1-12(2)10-26-14(4)16(13(3)23-26)6-8-19(28)22-18-9-15(5-7-17(18)20)27-11-21-24-25-27/h5,7,9,11-12H,6,8,10H2,1-4H3,(H,22,28)
InChIKeyPKSLTRYOTZCEGY-UHFFFAOYSA-N
XLogP2.84
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dichlorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 24502572
3-(4-fluorophenyl)-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide
CID 51090538
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(methylamino)acetamide
CID 54862457
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
4-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]butanamide
CID 54862455
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-3-oxobutanamide
CID 54867267
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-5-hydroxypentanamide
CID 79199600
N-(3-acetamido-2-methylphenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 37067897
(2R)-2-amino-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-4-methylpentanamide
CID 104902971
N-[2-fluoro-5-(tetrazol-1-yl)phenyl]-2-(prop-2-ynylamino)acetamide
CID 79286663
4-chloro-2-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]-N-propan-2-ylbenzamide
CID 55807538
3-[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]benzamide
CID 51237592

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide (CID 55811715) is 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide is Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cc(-n2cnnn2)ccc1F.
What is the InChIKey of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
The InChIKey is PKSLTRYOTZCEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN7O/c1-12(2)10-26-14(4)16(13(3)23-26)6-8-19(28)22-18-9-15(5-7-17(18)20)27-11-21-24-25-27/h5,7,9,11-12H,6,8,10H2,1-4H3,(H,22,28).
What are the key properties of 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide?
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide has a molecular weight of 385.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 55811715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).