N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide

C8H7FN4O — CID 121254681

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1CC1F
InChIInChI=1S/C8H7FN4O/c9-6-1-5(6)8(14)12-7-4(2-10)3-11-13-7/h3,5-6H,1H2,(H2,11,12,13,14)
InChIKeySRJHYUFVRSRTDZ-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.58
Rot. Bonds2

About N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide

N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 121254681) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID121254681
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)C1CC1F
InChIInChI=1S/C8H7FN4O/c9-6-1-5(6)8(14)12-7-4(2-10)3-11-13-7/h3,5-6H,1H2,(H2,11,12,13,14)
InChIKeySRJHYUFVRSRTDZ-UHFFFAOYSA-N
XLogP0.58
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide (CID 121254681) is N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide is N#Cc1cn[nH]c1NC(=O)C1CC1F.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SRJHYUFVRSRTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O/c9-6-1-5(6)8(14)12-7-4(2-10)3-11-13-7/h3,5-6H,1H2,(H2,11,12,13,14).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 194.17 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 121254681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).