2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile

C10H11N3S — CID 105457821

IUPAC2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1C1CC1)CSCC2
InChIInChI=1S/C10H11N3S/c11-5-10-8-3-4-14-6-9(8)12-13(10)7-1-2-7/h7H,1-4,6H2
InChIKeyDNGHVUPLHYUZFL-UHFFFAOYSA-N
MW205.29 g/mol
LogP1.88
Rot. Bonds1

About 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile

2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile (PubChem CID 105457821) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
PubChem CID105457821
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1C1CC1)CSCC2
InChIInChI=1S/C10H11N3S/c11-5-10-8-3-4-14-6-9(8)12-13(10)7-1-2-7/h7H,1-4,6H2
InChIKeyDNGHVUPLHYUZFL-UHFFFAOYSA-N
XLogP1.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105471198
2-cyclopentyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105498171
2-piperidin-4-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105472552
2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105489761
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
CID 105489962
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465137
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105461036
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033
2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83679998
3,4-dihydro-1H-thiopyrano[3,4-c]pyridine-5-carbonitrile
CID 82375950

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile (CID 105457821) is 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile is N#Cc1c2c(nn1C1CC1)CSCC2.
What is the InChIKey of 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile?
The InChIKey is DNGHVUPLHYUZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-5-10-8-3-4-14-6-9(8)12-13(10)7-1-2-7/h7H,1-4,6H2.
What are the key properties of 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile?
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile has a molecular weight of 205.29 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105457821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).