1-methyl-3-pyrrolidin-3-ylpyrazole

C8H13N3 — CID 82417224

IUPAC1-methyl-3-pyrrolidin-3-ylpyrazole
SMILESCn1ccc(C2CCNC2)n1
InChIInChI=1S/C8H13N3/c1-11-5-3-8(10-11)7-2-4-9-6-7/h3,5,7,9H,2,4,6H2,1H3
InChIKeyCKVMGZORIHRUAV-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-3-pyrrolidin-3-ylpyrazole

1-methyl-3-pyrrolidin-3-ylpyrazole (PubChem CID 82417224) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-methyl-3-pyrrolidin-3-ylpyrazole.

Molecular Properties

Compound Name1-methyl-3-pyrrolidin-3-ylpyrazole
PubChem CID82417224
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-methyl-3-pyrrolidin-3-ylpyrazole
SMILESCn1ccc(C2CCNC2)n1
InChIInChI=1S/C8H13N3/c1-11-5-3-8(10-11)7-2-4-9-6-7/h3,5,7,9H,2,4,6H2,1H3
InChIKeyCKVMGZORIHRUAV-UHFFFAOYSA-N
XLogP0.50
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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
4-((1-methyl-1H-pyrazol-5-yl)methyl)piperidine
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1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
1-Methyl-3-t-butylpyrazole
CID 145633
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropan-1-amine dihydrochloride
CID 129841629
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749
1-(1-ethyl-1H-pyrazol-5-yl)ethan-1-amine
CID 19585894
1-(1,3-dimethyl-1H-pyrazol-4-yl)propan-2-amine
CID 19585896
alpha,1-Dimethyl-1H-pyrazole-3-methanamine
CID 19616543
1-(1-methyl-1H-pyrazol-5-yl)ethan-1-amine
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3-cyclopropyl-1-methyl-1H-pyrazole
CID 23300060

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pyrrolidin-3-ylpyrazole?
The IUPAC name of 1-methyl-3-pyrrolidin-3-ylpyrazole (CID 82417224) is 1-methyl-3-pyrrolidin-3-ylpyrazole.
What is the SMILES notation for 1-methyl-3-pyrrolidin-3-ylpyrazole?
The canonical SMILES for 1-methyl-3-pyrrolidin-3-ylpyrazole is Cn1ccc(C2CCNC2)n1.
What is the InChIKey of 1-methyl-3-pyrrolidin-3-ylpyrazole?
The InChIKey is CKVMGZORIHRUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-5-3-8(10-11)7-2-4-9-6-7/h3,5,7,9H,2,4,6H2,1H3.
What are the key properties of 1-methyl-3-pyrrolidin-3-ylpyrazole?
1-methyl-3-pyrrolidin-3-ylpyrazole has a molecular weight of 151.21 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pyrrolidin-3-ylpyrazole is sourced from PubChem (CID 82417224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).