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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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).