3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

C13H15N3 — CID 4593273

IUPAC3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESCc1cc(C)cc(-c2[nH]nc3c2CCN3)c1
InChIInChI=1S/C13H15N3/c1-8-5-9(2)7-10(6-8)12-11-3-4-14-13(11)16-15-12/h5-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyZXUTVRHUIKYYBJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.66
Rot. Bonds1

About 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole

3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (PubChem CID 4593273) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
PubChem CID4593273
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
SMILESCc1cc(C)cc(-c2[nH]nc3c2CCN3)c1
InChIInChI=1S/C13H15N3/c1-8-5-9(2)7-10(6-8)12-11-3-4-14-13(11)16-15-12/h5-7H,3-4H2,1-2H3,(H2,14,15,16)
InChIKeyZXUTVRHUIKYYBJ-UHFFFAOYSA-N
XLogP2.66
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-yl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3439346
2-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
CID 167367152
3-(5-bromo-3-pyridinyl)-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3526680
3-naphthalen-2-yl-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 3481970
3-thiophen-3-yl-2,4,5,6,7,8-hexahydropyrazolo[3,4-b]azepine
CID 4666902
4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 83913416
4-fluoro-6-methyl-2,3-dihydro-1H-indole
CID 123734909
2-[5-(5-chloro-2-fluorophenyl)-2H-pyrrol-4-yl]-7-(2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazol-3-yl)-1,5-naphthyridine
CID 158662851
4-(3-methylphenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 5216989
10-methyl-2,3,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene
CID 137156336
3-benzhydryl-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3932283
3-(2-methylsulfanylethyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole
CID 3643510

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole (CID 4593273) is 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is Cc1cc(C)cc(-c2[nH]nc3c2CCN3)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
The InChIKey is ZXUTVRHUIKYYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-8-5-9(2)7-10(6-8)12-11-3-4-14-13(11)16-15-12/h5-7H,3-4H2,1-2H3,(H2,14,15,16).
What are the key properties of 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole?
3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole has a molecular weight of 213.28 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-2,4,5,6-tetrahydropyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4593273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).