1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole

C12H19N3 — CID 95350128

IUPAC1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
SMILESC=C(C)CN1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C12H19N3/c1-10(2)8-15-6-4-5-12(15)11-7-13-14(3)9-11/h7,9,12H,1,4-6,8H2,2-3H3/t12-/m0/s1
InChIKeyOPRABFBTTVJBOT-LBPRGKRZSA-N
MW205.31 g/mol
LogP2.13
Rot. Bonds3

About 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole

1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole (PubChem CID 95350128) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
PubChem CID95350128
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
SMILESC=C(C)CN1CCC[C@H]1c1cnn(C)c1
InChIInChI=1S/C12H19N3/c1-10(2)8-15-6-4-5-12(15)11-7-13-14(3)9-11/h7,9,12H,1,4-6,8H2,2-3H3/t12-/m0/s1
InChIKeyOPRABFBTTVJBOT-LBPRGKRZSA-N
XLogP2.13
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanamine
CID 51619077
N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201
N-(dicyclopropylmethyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95318433
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95752296
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 100844062
N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95348862
1-(2-methylmorpholin-4-yl)-2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56801200
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95569857
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95569810
(1S)-1-(3-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 98757362

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole?
The IUPAC name of 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole (CID 95350128) is 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole is C=C(C)CN1CCC[C@H]1c1cnn(C)c1.
What is the InChIKey of 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole?
The InChIKey is OPRABFBTTVJBOT-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19N3/c1-10(2)8-15-6-4-5-12(15)11-7-13-14(3)9-11/h7,9,12H,1,4-6,8H2,2-3H3/t12-/m0/s1.
What are the key properties of 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole?
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole has a molecular weight of 205.31 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 95350128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).