1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole

C11H19N3 — CID 130787739

IUPAC1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
SMILESCC(Cc1ccn(C)n1)C1CCCN1
InChIInChI=1S/C11H19N3/c1-9(11-4-3-6-12-11)8-10-5-7-14(2)13-10/h5,7,9,11-12H,3-4,6,8H2,1-2H3
InChIKeyPBMRMHQORYWDBU-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.35
Rot. Bonds3

About 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole

1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole (PubChem CID 130787739) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
PubChem CID130787739
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole
SMILESCC(Cc1ccn(C)n1)C1CCCN1
InChIInChI=1S/C11H19N3/c1-9(11-4-3-6-12-11)8-10-5-7-14(2)13-10/h5,7,9,11-12H,3-4,6,8H2,1-2H3
InChIKeyPBMRMHQORYWDBU-UHFFFAOYSA-N
XLogP1.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
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3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
3-(3-chloro-2-methylbutyl)-1-methylpyrazole
CID 82876102
1-cyclooctyl-2-(1-methylpyrazol-3-yl)ethanamine
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N-[3-methyl-4-(1-methylpyrazol-3-yl)butan-2-yl]cyclopropanamine
CID 82870614
1-cyclopropyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876061
2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
CID 83913487
2-(1-phenylpyrazol-3-yl)-1-pyrrolidin-2-ylethanamine
CID 69311321
6-[(1-methylpyrazol-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
CID 82866010
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
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CID 82870753

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole?
The IUPAC name of 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole (CID 130787739) is 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole?
The canonical SMILES for 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole is CC(Cc1ccn(C)n1)C1CCCN1.
What is the InChIKey of 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole?
The InChIKey is PBMRMHQORYWDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-9(11-4-3-6-12-11)8-10-5-7-14(2)13-10/h5,7,9,11-12H,3-4,6,8H2,1-2H3.
What are the key properties of 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole?
1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole has a molecular weight of 193.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-pyrrolidin-2-ylpropyl)pyrazole is sourced from PubChem (CID 130787739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).