N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C8H12FN3O — CID 130478235

IUPACN-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCF
InChIInChI=1S/C8H12FN3O/c1-5-7(6(2)12-11-5)8(13)10-4-3-9/h3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyYVYCGHNRWPEDKW-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.73
Rot. Bonds3

About N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 130478235) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID130478235
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCF
InChIInChI=1S/C8H12FN3O/c1-5-7(6(2)12-11-5)8(13)10-4-3-9/h3-4H2,1-2H3,(H,10,13)(H,11,12)
InChIKeyYVYCGHNRWPEDKW-UHFFFAOYSA-N
XLogP0.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 130478235) is N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is YVYCGHNRWPEDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-5-7(6(2)12-11-5)8(13)10-4-3-9/h3-4H2,1-2H3,(H,10,13)(H,11,12).
What are the key properties of N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 185.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 130478235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).