5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile

C11H9N3O — CID 121212603

IUPAC5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccoc2)n[nH]c1C1CC1
InChIInChI=1S/C11H9N3O/c12-5-9-10(7-1-2-7)13-14-11(9)8-3-4-15-6-8/h3-4,6-7H,1-2H2,(H,13,14)
InChIKeyKVNBSSLUWRLGJJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.42
Rot. Bonds2

About 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile

5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile (PubChem CID 121212603) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
PubChem CID121212603
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(-c2ccoc2)n[nH]c1C1CC1
InChIInChI=1S/C11H9N3O/c12-5-9-10(7-1-2-7)13-14-11(9)8-3-4-15-6-8/h3-4,6-7H,1-2H2,(H,13,14)
InChIKeyKVNBSSLUWRLGJJ-UHFFFAOYSA-N
XLogP2.42
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-cyclopropyl-3-thiophen-3-yl-1H-pyrazole-4-carbonitrile
CID 121212434
5-ethyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile
CID 121212601
4-(bromomethyl)-5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole
CID 121211432
5-cyclobutyl-3-(furan-3-yl)-1H-pyrazole-4-carboxylic acid
CID 121212574
3-amino-5-cyclopropyl-1H-pyrazole-4-carbonitrile
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N-[4-[4-cyano-3-(4-fluorophenyl)-1H-pyrazol-5-yl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 66596049
4-cyano-3-(3-cyanophenyl)-5-[4-(dimethylsulfamoylamino)cyclohexyl]-1H-pyrazole
CID 52918744
2-cyclopropyl-4-(furan-3-yl)-5-methyl-1H-pyrimidin-6-one
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1-[3-(furan-3-yl)-5-methyl-1H-pyrazol-4-yl]-N-methylmethanamine
CID 121212654
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482133
4-chloro-2-cyclopropyl-6-(furan-3-yl)pyrimidine
CID 80952668
3-(furan-3-yl)benzene-1,2-dicarbonitrile
CID 76539722

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile (CID 121212603) is 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile is N#Cc1c(-c2ccoc2)n[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
The InChIKey is KVNBSSLUWRLGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c12-5-9-10(7-1-2-7)13-14-11(9)8-3-4-15-6-8/h3-4,6-7H,1-2H2,(H,13,14).
What are the key properties of 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile?
5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-(furan-3-yl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 121212603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).