1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole

C13H21N3 — CID 134594227

IUPAC1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole
SMILESC=C(Cn1ccc(C)n1)N1CCC(C)(C)C1
InChIInChI=1S/C13H21N3/c1-11-5-7-16(14-11)9-12(2)15-8-6-13(3,4)10-15/h5,7H,2,6,8-10H2,1,3-4H3
InChIKeyUSYQYHVCZFSQIN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.44
Rot. Bonds3

About 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole

1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole (PubChem CID 134594227) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole.

Molecular Properties

Compound Name1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole
PubChem CID134594227
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole
SMILESC=C(Cn1ccc(C)n1)N1CCC(C)(C)C1
InChIInChI=1S/C13H21N3/c1-11-5-7-16(14-11)9-12(2)15-8-6-13(3,4)10-15/h5,7H,2,6,8-10H2,1,3-4H3
InChIKeyUSYQYHVCZFSQIN-UHFFFAOYSA-N
XLogP2.44
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1,5-Dimethylpyrazole
CID 136502
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CID 672402
N,2,2-Trimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]butanamide
CID 121446735
1-Ethenyl-5-methyl-1h-pyrazole
CID 186634
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
(1-propyl-1H-pyrazol-5-yl)methanamine
CID 19576790
1-(Cyclopropylmethyl)-8-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
CID 97396886
2-(3-Methyl-pyrazol-1-yl)-ethylamine
CID 3157297

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole?
The IUPAC name of 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole (CID 134594227) is 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole.
What is the SMILES notation for 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole?
The canonical SMILES for 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole is C=C(Cn1ccc(C)n1)N1CCC(C)(C)C1.
What is the InChIKey of 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole?
The InChIKey is USYQYHVCZFSQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-11-5-7-16(14-11)9-12(2)15-8-6-13(3,4)10-15/h5,7H,2,6,8-10H2,1,3-4H3.
What are the key properties of 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole?
1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole has a molecular weight of 219.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3-dimethylpyrrolidin-1-yl)prop-2-enyl]-3-methylpyrazole is sourced from PubChem (CID 134594227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).