3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole

C8H13N3 — CID 95366500

IUPAC3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole
SMILESCc1ccn([C@H]2CCNC2)n1
InChIInChI=1S/C8H13N3/c1-7-3-5-11(10-7)8-2-4-9-6-8/h3,5,8-9H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyDQLIGRKVYDXESJ-QMMMGPOBSA-N
MW151.21 g/mol
LogP0.73
Rot. Bonds1

About 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole

3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole (PubChem CID 95366500) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole.

Molecular Properties

Compound Name3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole
PubChem CID95366500
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole
SMILESCc1ccn([C@H]2CCNC2)n1
InChIInChI=1S/C8H13N3/c1-7-3-5-11(10-7)8-2-4-9-6-8/h3,5,8-9H,2,4,6H2,1H3/t8-/m0/s1
InChIKeyDQLIGRKVYDXESJ-QMMMGPOBSA-N
XLogP0.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3,4-dimethylcyclohexyl)-3-methylpyrazole
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6-methyl-2-pyrrolidin-3-ylpyridazin-3-one
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4-(3-ethoxypyrazol-1-yl)piperidine
CID 89388808
3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)pyrazole
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4-(4-bromo-3-methylphenyl)-3-methyl-1-pyrrolidin-3-ylpyrazole
CID 84604209
1-pyrrolidin-3-yltriazole;hydrochloride
CID 19005943
2-[(2S)-2-methylpyrrolidin-1-yl]-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole?
The IUPAC name of 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole (CID 95366500) is 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole.
What is the SMILES notation for 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole?
The canonical SMILES for 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole is Cc1ccn([C@H]2CCNC2)n1.
What is the InChIKey of 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole?
The InChIKey is DQLIGRKVYDXESJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13N3/c1-7-3-5-11(10-7)8-2-4-9-6-8/h3,5,8-9H,2,4,6H2,1H3/t8-/m0/s1.
What are the key properties of 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole?
3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3S)-pyrrolidin-3-yl]pyrazole is sourced from PubChem (CID 95366500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).