4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

C19H18N6 — CID 135249502

IUPAC4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
SMILESN#CC1CC=C(c2nccn3ncc(-c4cnn(C5CC5)c4)c23)CC1
InChIInChI=1S/C19H18N6/c20-9-13-1-3-14(4-2-13)18-19-17(11-23-24(19)8-7-21-18)15-10-22-25(12-15)16-5-6-16/h3,7-8,10-13,16H,1-2,4-6H2
InChIKeyHGXQLDZRIWNMAE-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.63
Rot. Bonds3

About 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile

4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (PubChem CID 135249502) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
PubChem CID135249502
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
SMILESN#CC1CC=C(c2nccn3ncc(-c4cnn(C5CC5)c4)c23)CC1
InChIInChI=1S/C19H18N6/c20-9-13-1-3-14(4-2-13)18-19-17(11-23-24(19)8-7-21-18)15-10-22-25(12-15)16-5-6-16/h3,7-8,10-13,16H,1-2,4-6H2
InChIKeyHGXQLDZRIWNMAE-UHFFFAOYSA-N
XLogP3.63
TPSA71.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[1-(4-fluorophenyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249959
4-[3-[4-[1-(2-cyanoethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249334
4-[3-[4-[1-(2,2-difluoroethyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249299
4-(3-bromopyrazolo[1,5-a]pyrazin-4-yl)cyclohex-3-ene-1-carbonitrile
CID 135241405
N-[6-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]naphthalen-2-yl]methanesulfonamide
CID 135249386
4-[3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135249313
4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile
CID 135260493
methyl 4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-methylbenzoate
CID 135249341
N-[6-[4-(3-cyano-8-bicyclo[3.2.1]octanyl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide;N-[4-[4-(4-cyanocyclohexen-1-yl)pyrazolo[1,5-a]pyrazin-3-yl]phenyl]methanesulfonamide;4-[3-[4-[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1-carbonitrile;4-[3-[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]phenyl]pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile;N-[6-[4-(3-isocyano-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyridin-3-yl]naphthalen-2-yl]methanesulfonamide
CID 159336104
4-(4-aminopyrazol-1-yl)cyclohexane-1-carbonitrile
CID 131469436
4-[3-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohexane-1-carbonitrile
CID 135249546
4-bromopyrazolo[1,5-a]pyridine;4-(3-bromopyrazolo[1,5-a]pyridin-4-yl)cyclohex-3-ene-1-carbonitrile;4-[3-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridin-4-yl]cyclohex-3-ene-1-carbonitrile;4-pyrazolo[1,5-a]pyridin-4-ylcyclohex-3-ene-1-carbonitrile
CID 161072403

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The IUPAC name of 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile (CID 135249502) is 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is N#CC1CC=C(c2nccn3ncc(-c4cnn(C5CC5)c4)c23)CC1.
What is the InChIKey of 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
The InChIKey is HGXQLDZRIWNMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c20-9-13-1-3-14(4-2-13)18-19-17(11-23-24(19)8-7-21-18)15-10-22-25(12-15)16-5-6-16/h3,7-8,10-13,16H,1-2,4-6H2.
What are the key properties of 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile?
4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile has a molecular weight of 330.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-cyclopropylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 135249502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).