1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole

C13H23N3 — CID 103010970

IUPAC1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole
SMILESCCCC1(CCc2cnn(C)c2)CCCN1
InChIInChI=1S/C13H23N3/c1-3-6-13(7-4-9-14-13)8-5-12-10-15-16(2)11-12/h10-11,14H,3-9H2,1-2H3
InChIKeyCMHDANQIFIMWRW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.28
Rot. Bonds5

About 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole

1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole (PubChem CID 103010970) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole
PubChem CID103010970
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole
SMILESCCCC1(CCc2cnn(C)c2)CCCN1
InChIInChI=1S/C13H23N3/c1-3-6-13(7-4-9-14-13)8-5-12-10-15-16(2)11-12/h10-11,14H,3-9H2,1-2H3
InChIKeyCMHDANQIFIMWRW-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dipropylpyrrolidine
CID 13332418
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975529
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106974560
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
1-methyl-4-propylpyrazole;propane
CID 155742221
2-(3-phenylpropyl)-2-propylpyrrolidine
CID 66467164
3,3-diethyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 64870349
2-ethyl-2-[2-(4-methylphenyl)ethyl]pyrrolidine
CID 117271535
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopropyl]ethanol
CID 106798118
2-propyl-2-(2-thiophen-2-ylethyl)pyrrolidine
CID 66467169
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 103014465
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole?
The IUPAC name of 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole (CID 103010970) is 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole?
The canonical SMILES for 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole is CCCC1(CCc2cnn(C)c2)CCCN1.
What is the InChIKey of 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole?
The InChIKey is CMHDANQIFIMWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-6-13(7-4-9-14-13)8-5-12-10-15-16(2)11-12/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole?
1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole has a molecular weight of 221.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole is sourced from PubChem (CID 103010970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).