1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole

C10H17N3 — CID 83482272

IUPAC1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
SMILESCc1cc(CC2CCNC2)nn1C
InChIInChI=1S/C10H17N3/c1-8-5-10(12-13(8)2)6-9-3-4-11-7-9/h5,9,11H,3-4,6-7H2,1-2H3
InChIKeyYHJBGLOKUVEWNF-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.88
Rot. Bonds2

About 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole

1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole (PubChem CID 83482272) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
PubChem CID83482272
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
SMILESCc1cc(CC2CCNC2)nn1C
InChIInChI=1S/C10H17N3/c1-8-5-10(12-13(8)2)6-9-3-4-11-7-9/h5,9,11H,3-4,6-7H2,1-2H3
InChIKeyYHJBGLOKUVEWNF-UHFFFAOYSA-N
XLogP0.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
CID 82600329
2-[[(3R)-pyrrolidin-3-yl]methyl]-5-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 125017846
6-methyl-2-(pyrrolidin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine
CID 84681999
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
4-methyl-6-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 83858474
1-methyl-3-(2-pyrrolidin-3-ylethyl)pyrazol-5-amine
CID 83847502
4-(1-methylimidazol-2-yl)-6-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidine
CID 124641296
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
4-methyl-3-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-triazole
CID 97011669

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole (CID 83482272) is 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole is Cc1cc(CC2CCNC2)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole?
The InChIKey is YHJBGLOKUVEWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-5-10(12-13(8)2)6-9-3-4-11-7-9/h5,9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole?
1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole has a molecular weight of 179.27 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole is sourced from PubChem (CID 83482272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).