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

C8H7FN4O — CID 125471438

IUPACcis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)[C@H]1C[C@H]1F
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)/t5-,6+/m0/s1
InChIKeySRJHYUFVRSRTDZ-NTSWFWBYSA-N
MW194.17 g/mol
LogP0.58
Rot. Bonds2

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

cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 125471438) has the molecular formula C8H7FN4O and a molecular weight of 194.17 g/mol. Its IUPAC name is cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID125471438
Molecular FormulaC8H7FN4O
Molecular Weight194.17 g/mol
Exact Mass194.06
IUPAC Namecis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide
SMILESN#Cc1cn[nH]c1NC(=O)[C@H]1C[C@H]1F
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)/t5-,6+/m0/s1
InChIKeySRJHYUFVRSRTDZ-NTSWFWBYSA-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 cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide (CID 125471438) is cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide is N#Cc1cn[nH]c1NC(=O)[C@H]1C[C@H]1F.
What is the InChIKey of cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is SRJHYUFVRSRTDZ-NTSWFWBYSA-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)/t5-,6+/m0/s1.
What are the key properties of cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-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 cis-(1R,2R)-N-(4-cyano-1H-pyrazol-5-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 125471438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).