N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide

C7H8FN3O — CID 167777721

IUPACN-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn[nH]c1F
InChIInChI=1S/C7H8FN3O/c8-6-5(3-9-11-6)7(12)10-4-1-2-4/h3-4H,1-2H2,(H,9,11)(H,10,12)
InChIKeyIRFBBVLNTGHZSQ-UHFFFAOYSA-N
MW169.16 g/mol
LogP0.44
Rot. Bonds2

About N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide

N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide (PubChem CID 167777721) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide
PubChem CID167777721
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC NameN-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn[nH]c1F
InChIInChI=1S/C7H8FN3O/c8-6-5(3-9-11-6)7(12)10-4-1-2-4/h3-4H,1-2H2,(H,9,11)(H,10,12)
InChIKeyIRFBBVLNTGHZSQ-UHFFFAOYSA-N
XLogP0.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide (CID 167777721) is N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide is O=C(NC1CC1)c1cn[nH]c1F.
What is the InChIKey of N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide?
The InChIKey is IRFBBVLNTGHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O/c8-6-5(3-9-11-6)7(12)10-4-1-2-4/h3-4H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide?
N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide has a molecular weight of 169.16 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluoro-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167777721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).