[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

US10022354, Example 23
CID 121279559
1'-[(3-isobutyl-1H-pyrazol-5-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)-1,4'-bipiperidine
CID 16187219
N-isopropyl-1'-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]-1,4'-bipiperidine-4-carboxamide
CID 16192070
N-[[(1R,5S)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126736699
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 126736716
3-tert-butyl-N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-1-methylpyrazole-5-carboxamide
CID 126736769
US11691968, Example 138
CID 167524468
US11691968, Example 145
CID 167524495
US11691968, Example 136
CID 167524562
US20230271952, Example 136
CID 168678798
US20230271952, Example 138
CID 168678799
US20230271952, Example 145
CID 168678801

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).