N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide

C8H10FN3O — CID 151195460

IUPACN-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC2)c1F
InChIInChI=1S/C8H10FN3O/c1-12-7(9)6(4-10-12)8(13)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyNHFABLWVLAUIDI-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.45
Rot. Bonds2

About N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide

N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide (PubChem CID 151195460) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide
PubChem CID151195460
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC NameN-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC2CC2)c1F
InChIInChI=1S/C8H10FN3O/c1-12-7(9)6(4-10-12)8(13)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,11,13)
InChIKeyNHFABLWVLAUIDI-UHFFFAOYSA-N
XLogP0.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.45
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-methylpyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide (CID 151195460) is N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC2CC2)c1F.
What is the InChIKey of N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide?
The InChIKey is NHFABLWVLAUIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-12-7(9)6(4-10-12)8(13)11-5-2-3-5/h4-5H,2-3H2,1H3,(H,11,13).
What are the key properties of N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide?
N-cyclopropyl-5-fluoro-1-methylpyrazole-4-carboxamide has a molecular weight of 183.19 g/mol, XLogP of 0.45, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 151195460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).