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

C13H17N5 — CID 126900257

IUPAC2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESc1cnn(C2CN(Cc3cc4n(n3)CCC4)C2)c1
InChIInChI=1S/C13H17N5/c1-3-12-7-11(15-18(12)5-1)8-16-9-13(10-16)17-6-2-4-14-17/h2,4,6-7,13H,1,3,5,8-10H2
InChIKeyIPHVSYIZDJNYKA-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.08
Rot. Bonds3

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

2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 126900257) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID126900257
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESc1cnn(C2CN(Cc3cc4n(n3)CCC4)C2)c1
InChIInChI=1S/C13H17N5/c1-3-12-7-11(15-18(12)5-1)8-16-9-13(10-16)17-6-2-4-14-17/h2,4,6-7,13H,1,3,5,8-10H2
InChIKeyIPHVSYIZDJNYKA-UHFFFAOYSA-N
XLogP1.08
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole with MolForge

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Related Compounds

2-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126893918
2-[(3-pyrazol-1-ylpyrrolidin-1-yl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
CID 126946513
1-[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 126948031
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
2-[[1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylmethyl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864442
1-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899394
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900310
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine;dihydrochloride
CID 122156683
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126900260
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196
(5-benzyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 50976050

Frequently Asked Questions

What is the IUPAC name of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 126900257) is 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is c1cnn(C2CN(Cc3cc4n(n3)CCC4)C2)c1.
What is the InChIKey of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is IPHVSYIZDJNYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-3-12-7-11(15-18(12)5-1)8-16-9-13(10-16)17-6-2-4-14-17/h2,4,6-7,13H,1,3,5,8-10H2.
What are the key properties of 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 243.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 126900257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).