1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole

C10H17N3 — CID 82600329

IUPAC1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCc1cc(CC2CCCN2)nn1C
InChIInChI=1S/C10H17N3/c1-8-6-10(12-13(8)2)7-9-4-3-5-11-9/h6,9,11H,3-5,7H2,1-2H3
InChIKeyYNLUMUAEIWERLK-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.02
Rot. Bonds2

About 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole

1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 82600329) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID82600329
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCc1cc(CC2CCCN2)nn1C
InChIInChI=1S/C10H17N3/c1-8-6-10(12-13(8)2)7-9-4-3-5-11-9/h6,9,11H,3-5,7H2,1-2H3
InChIKeyYNLUMUAEIWERLK-UHFFFAOYSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-3-(pyrrolidin-3-ylmethyl)pyrazole
CID 83482272
2-[(1-methylimidazol-4-yl)methyl]piperidine
CID 130509272
4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 62694265
1-ethyl-2,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrrole
CID 82492295
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
5-chloro-3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 84719045
3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 66122699
4-pyrrolidin-1-yl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridine
CID 11287692
N,N-dimethyl-2-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-amine
CID 11593670
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
CID 71298900
3-(pyrrolidin-2-ylmethyl)-1,2-oxazole
CID 82595027

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole (CID 82600329) is 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole is Cc1cc(CC2CCCN2)nn1C.
What is the InChIKey of 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is YNLUMUAEIWERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-6-10(12-13(8)2)7-9-4-3-5-11-9/h6,9,11H,3-5,7H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole?
1,5-dimethyl-3-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.02, 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-2-ylmethyl)pyrazole is sourced from PubChem (CID 82600329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).