(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

C17H28N4O — CID 95339680

IUPAC(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H28N4O/c1-17(2,3)21-12-13(11-18-21)16(22)20-10-6-8-15(20)14-7-5-9-19(14)4/h11-12,14-15H,5-10H2,1-4H3/t14-,15-/m0/s1
InChIKeyKUGUWXPLASSXFF-GJZGRUSLSA-N
MW304.44 g/mol
LogP2.34
Rot. Bonds2

About (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone

(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 95339680) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID95339680
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
SMILESCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C17H28N4O/c1-17(2,3)21-12-13(11-18-21)16(22)20-10-6-8-15(20)14-7-5-9-19(14)4/h11-12,14-15H,5-10H2,1-4H3/t14-,15-/m0/s1
InChIKeyKUGUWXPLASSXFF-GJZGRUSLSA-N
XLogP2.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone 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

(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95294042
(1-tert-butylpyrazol-4-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 56815043
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-methylpyrazol-4-yl)methanone
CID 42919961
[4-(4-methylpyrazol-1-yl)phenyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295766
[4-(4-methylpyrazol-1-yl)phenyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95295765
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124591057
[2-(2-hydroxycyclopentyl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 79545074
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427381
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427380
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 129427496
[6-(diethylamino)-3-pyridinyl]-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95291325

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone (CID 95339680) is (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1.
What is the InChIKey of (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is KUGUWXPLASSXFF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-17(2,3)21-12-13(11-18-21)16(22)20-10-6-8-15(20)14-7-5-9-19(14)4/h11-12,14-15H,5-10H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone?
(1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 304.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butylpyrazol-4-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95339680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).