3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C15H21N5 — CID 126947354

IUPAC3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCc1cnn(C2CCN(Cc3cnn4c3CCC4)C2)c1
InChIInChI=1S/C15H21N5/c1-12-7-16-20(9-12)14-4-6-18(11-14)10-13-8-17-19-5-2-3-15(13)19/h7-9,14H,2-6,10-11H2,1H3
InChIKeyJGVRGQSXECHRHK-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.78
Rot. Bonds3

About 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 126947354) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID126947354
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESCc1cnn(C2CCN(Cc3cnn4c3CCC4)C2)c1
InChIInChI=1S/C15H21N5/c1-12-7-16-20(9-12)14-4-6-18(11-14)10-13-8-17-19-5-2-3-15(13)19/h7-9,14H,2-6,10-11H2,1H3
InChIKeyJGVRGQSXECHRHK-UHFFFAOYSA-N
XLogP1.78
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]azepane
CID 126947336
1-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-4-methylpyrazole
CID 126947287
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazole-4-carbonitrile
CID 126900685
2-methyl-4-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]pyridazin-3-one
CID 126947361
4-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]morpholine
CID 126947279
4-methyl-1-[1-[2-(4-methylpyrazol-1-yl)ethyl]pyrrolidin-3-yl]pyrazole
CID 126947449
4-methyl-1-(1-methylpyrrolidin-3-yl)pyrazole
CID 70661033
5-cyclopropyl-3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-1,2-oxazole
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5-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]pentan-1-amine
CID 155741023
[3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752882
1-(1-cyclopentylpyrrolidin-3-yl)-4-methylpyrazole
CID 126947275
3-[[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]-1H-quinolin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 126947354) is 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Cc1cnn(C2CCN(Cc3cnn4c3CCC4)C2)c1.
What is the InChIKey of 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is JGVRGQSXECHRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-7-16-20(9-12)14-4-6-18(11-14)10-13-8-17-19-5-2-3-15(13)19/h7-9,14H,2-6,10-11H2,1H3.
What are the key properties of 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 271.37 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 126947354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).