N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C9H12FN3O — CID 141443116

IUPACN-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CC1
InChIInChI=1S/C9H12FN3O/c1-5-7(8(10)13(2)12-5)9(14)11-6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)
InChIKeyPQXBIVDSJZZZSM-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.76
Rot. Bonds2

About N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 141443116) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID141443116
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC NameN-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CC1
InChIInChI=1S/C9H12FN3O/c1-5-7(8(10)13(2)12-5)9(14)11-6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14)
InChIKeyPQXBIVDSJZZZSM-UHFFFAOYSA-N
XLogP0.76
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 141443116) is N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is PQXBIVDSJZZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-5-7(8(10)13(2)12-5)9(14)11-6-3-4-6/h6H,3-4H2,1-2H3,(H,11,14).
What are the key properties of N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 197.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 141443116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).