[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C21H32N4O2 — CID 55740621

IUPAC[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-21(2,3)25-18(14-17(22-25)15-6-7-15)20(27)24-12-8-16(9-13-24)19(26)23-10-4-5-11-23/h14-16H,4-13H2,1-3H3
InChIKeyHVVFYNHNPGHIQQ-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.99
Rot. Bonds3

About [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55740621) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55740621
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H32N4O2/c1-21(2,3)25-18(14-17(22-25)15-6-7-15)20(27)24-12-8-16(9-13-24)19(26)23-10-4-5-11-23/h14-16H,4-13H2,1-3H3
InChIKeyHVVFYNHNPGHIQQ-UHFFFAOYSA-N
XLogP2.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 55875478
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768651
4-[4-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 55759845
[1-(1-methyl-3-propan-2-ylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 70751403
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
(1-tert-butyl-3-cyclopropylpyrazol-5-yl)-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 55746987
1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 94237843
[1-(3-phenylimidazole-4-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286851
[1-(3,5-ditert-butyl-2-hydroxybenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 112815373
N-(3-bromo-4-methylphenyl)-1-tert-butyl-3-cyclopropylpyrazole-5-carboxamide
CID 55738642
[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 1-tert-butyl-3-cyclopropylpyrazole-5-carboxylate
CID 95787372
1-tert-butyl-3-cyclopropylpyrazole-5-carbaldehyde
CID 155977856

Frequently Asked Questions

What is the IUPAC name of [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55740621) is [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is CC(C)(C)n1nc(C2CC2)cc1C(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is HVVFYNHNPGHIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-21(2,3)25-18(14-17(22-25)15-6-7-15)20(27)24-12-8-16(9-13-24)19(26)23-10-4-5-11-23/h14-16H,4-13H2,1-3H3.
What are the key properties of [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 372.51 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-tert-butyl-3-cyclopropylpyrazole-5-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55740621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).