1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole

C14H25N3 — CID 113441523

IUPAC1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1CC1(C(C)C)CCCN1
InChIInChI=1S/C14H25N3/c1-10(2)14(7-6-8-15-14)9-13-11(3)16-17(5)12(13)4/h10,15H,6-9H2,1-5H3
InChIKeyMNDGTHLBZCKPPJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.36
Rot. Bonds3

About 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole

1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole (PubChem CID 113441523) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
PubChem CID113441523
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
SMILESCc1nn(C)c(C)c1CC1(C(C)C)CCCN1
InChIInChI=1S/C14H25N3/c1-10(2)14(7-6-8-15-14)9-13-11(3)16-17(5)12(13)4/h10,15H,6-9H2,1-5H3
InChIKeyMNDGTHLBZCKPPJ-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1,3-dimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole
CID 113470300
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylazepane
CID 79117227
5-methyl-5-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 104687395
2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]-2-propan-2-ylazepane
CID 79118212
(2-propan-2-ylpyrrolidin-2-yl)methanol
CID 84648893
2-(furan-2-ylmethyl)-2-propan-2-ylpyrrolidine
CID 83174870
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
N,N-dimethyl-1-(2-propan-2-ylpyrrolidin-2-yl)methanamine
CID 117271095
N-[(1-methylsulfanylcyclobutyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 107267185
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325
2-(2-ethylbutyl)-2-propan-2-ylpyrrolidine
CID 82922353

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole (CID 113441523) is 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole is Cc1nn(C)c(C)c1CC1(C(C)C)CCCN1.
What is the InChIKey of 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is MNDGTHLBZCKPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)14(7-6-8-15-14)9-13-11(3)16-17(5)12(13)4/h10,15H,6-9H2,1-5H3.
What are the key properties of 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole?
1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 235.37 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-4-[(2-propan-2-ylpyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 113441523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).