3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C9H14N2 — CID 163670178

IUPAC3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCCCc1cnn2c1CCC2
InChIInChI=1S/C9H14N2/c1-2-4-8-7-10-11-6-3-5-9(8)11/h7H,2-6H2,1H3
InChIKeyJBVMYJAFIGBRGR-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.78
Rot. Bonds2

About 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 163670178) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID163670178
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCCCc1cnn2c1CCC2
InChIInChI=1S/C9H14N2/c1-2-4-8-7-10-11-6-3-5-9(8)11/h7H,2-6H2,1H3
InChIKeyJBVMYJAFIGBRGR-UHFFFAOYSA-N
XLogP1.78
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 142324749
3-(7-methyltridecan-7-yl)-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 170151898
CID 163427439
CID 163427439
3-chloro-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 122129707
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylboronic acid
CID 66764821
3-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 14145814
1-propyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole
CID 88996387
tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
CID 91816981
ethane;3-methyl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 145221540
3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126947354
(2R)-1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 138028631
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-thiol
CID 142909383

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 163670178) is 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is CCCc1cnn2c1CCC2.
What is the InChIKey of 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is JBVMYJAFIGBRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-4-8-7-10-11-6-3-5-9(8)11/h7H,2-6H2,1H3.
What are the key properties of 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 150.22 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 163670178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).