2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C10H16N2 — CID 170442026

IUPAC2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCc1nn2c(c1C(C)C)CCC2
InChIInChI=1S/C10H16N2/c1-7(2)10-8(3)11-12-6-4-5-9(10)12/h7H,4-6H2,1-3H3
InChIKeyOHYBNNLPZMEBMW-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.26
Rot. Bonds1

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

2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 170442026) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID170442026
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCc1nn2c(c1C(C)C)CCC2
InChIInChI=1S/C10H16N2/c1-7(2)10-8(3)11-12-6-4-5-9(10)12/h7H,4-6H2,1-3H3
InChIKeyOHYBNNLPZMEBMW-UHFFFAOYSA-N
XLogP2.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

US11028083, Example 11
CID 139456552
US11028083, Example 50
CID 139456609
3-(trimethyl-1H-pyrazol-4-yl)propan-1-amine
CID 6492154
(1-methyl-1H,4H,5H,6H-cyclopenta(c)pyrazol-3-yl)methanamine
CID 28808654
3-(3-(Trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl)propanenitrile
CID 25247413
4-[2-(1,3,5-Trimethylpyrazol-4-yl)pyrrolidin-1-yl]butanenitrile
CID 72141649
1,4-Dimethyl-3,5-di-t-butylpyrazole
CID 145636
Cambridge id 6066293
CID 5347470
1,3,5-trimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 54592636
(3,5-diethyl-1-methyl-1H-pyrazol-4-yl)methanamine
CID 71757240
3-ethynyl-2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazole
CID 177798343
4-[(3,5-Dimethyl-1-prop-2-enylpyrazol-4-yl)methyl]-3,5-dimethyl-1-prop-2-enylpyrazole
CID 748681

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 170442026) is 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Cc1nn2c(c1C(C)C)CCC2.
What is the InChIKey of 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is OHYBNNLPZMEBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-7(2)10-8(3)11-12-6-4-5-9(10)12/h7H,4-6H2,1-3H3.
What are the key properties of 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 164.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 170442026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).