1,5-dimethyl-4-pyrrolidin-3-ylpyrazole

C9H15N3 — CID 79583940

IUPAC1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
SMILESCc1c(C2CCNC2)cnn1C
InChIInChI=1S/C9H15N3/c1-7-9(6-11-12(7)2)8-3-4-10-5-8/h6,8,10H,3-5H2,1-2H3
InChIKeyVLSKHHMARDUCFV-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.81
Rot. Bonds1

About 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole

1,5-dimethyl-4-pyrrolidin-3-ylpyrazole (PubChem CID 79583940) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
PubChem CID79583940
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1,5-dimethyl-4-pyrrolidin-3-ylpyrazole
SMILESCc1c(C2CCNC2)cnn1C
InChIInChI=1S/C9H15N3/c1-7-9(6-11-12(7)2)8-3-4-10-5-8/h6,8,10H,3-5H2,1-2H3
InChIKeyVLSKHHMARDUCFV-UHFFFAOYSA-N
XLogP0.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-dimethyl-5-pyrrolidin-3-ylpyrazole
CID 82596920
3-(5-methoxy-1-methylpyrazol-4-yl)piperidine
CID 82606364
4-(2,2-dimethylpyrrolidin-3-yl)-1,5-dimethylpyrazole
CID 79584128
4-(1,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)piperidine
CID 79596341
1,5-dimethyl-4-[(3S)-1-methylpyrrolidin-3-yl]pyrazole
CID 153338941
1,5-dimethyl-4-(2-methylpyrrolidin-3-yl)pyrazole
CID 79584030
4-(1,5-dimethylpyrazol-4-yl)-3-(3-fluorophenyl)piperidine
CID 79596234
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
4-(4-chlorophenyl)-1-methyl-5-pyrrolidin-3-ylpyrazole
CID 115053582
3-(1,5-dimethylpyrazol-4-yl)piperazin-2-one
CID 79583481
trans-(1S,2R)-2-(1,5-dimethylpyrazol-4-yl)cyclopropan-1-amine
CID 124512028
2-methyl-5-pyrrolidin-3-ylbenzene-1,4-diol
CID 117283580

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole (CID 79583940) is 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole is Cc1c(C2CCNC2)cnn1C.
What is the InChIKey of 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole?
The InChIKey is VLSKHHMARDUCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-9(6-11-12(7)2)8-3-4-10-5-8/h6,8,10H,3-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole?
1,5-dimethyl-4-pyrrolidin-3-ylpyrazole has a molecular weight of 165.24 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 79583940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).