1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole

C20H39N5 — CID 171834779

IUPAC1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCC.CC.CC(C)c1cnn(CC2CCCN2)c1.Cc1cnn(C)c1
InChIInChI=1S/C11H19N3.C5H8N2.2C2H6/c1-9(2)10-6-13-14(7-10)8-11-4-3-5-12-11;1-5-3-6-7(2)4-5;2*1-2/h6-7,9,11-12H,3-5,8H2,1-2H3;3-4H,1-2H3;2*1-2H3
InChIKeyYGFIRLRUULPPQG-UHFFFAOYSA-N
MW349.57 g/mol
LogP4.54
Rot. Bonds3

About 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole

1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 171834779) has the molecular formula C20H39N5 and a molecular weight of 349.57 g/mol. Its IUPAC name is 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID171834779
Molecular FormulaC20H39N5
Molecular Weight349.57 g/mol
Exact Mass349.32
IUPAC Name1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCC.CC.CC(C)c1cnn(CC2CCCN2)c1.Cc1cnn(C)c1
InChIInChI=1S/C11H19N3.C5H8N2.2C2H6/c1-9(2)10-6-13-14(7-10)8-11-4-3-5-12-11;1-5-3-6-7(2)4-5;2*1-2/h6-7,9,11-12H,3-5,8H2,1-2H3;3-4H,1-2H3;2*1-2H3
InChIKeyYGFIRLRUULPPQG-UHFFFAOYSA-N
XLogP4.54
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)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

4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603461
3-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 165375298
1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84604183
1-propyl-4-(pyrrolidin-2-ylmethyl)pyrazole
CID 103573721
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
N-[1-(1-ethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106602881
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
1,4-dimethylpyrazole
CID 167636457
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 171834779) is 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole is CC.CC.CC(C)c1cnn(CC2CCCN2)c1.Cc1cnn(C)c1.
What is the InChIKey of 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is YGFIRLRUULPPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C5H8N2.2C2H6/c1-9(2)10-6-13-14(7-10)8-11-4-3-5-12-11;1-5-3-6-7(2)4-5;2*1-2/h6-7,9,11-12H,3-5,8H2,1-2H3;3-4H,1-2H3;2*1-2H3.
What are the key properties of 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole?
1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 349.57 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 171834779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).