2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide

C20H33N5O2 — CID 56755417

IUPAC2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1)N1CCCC1
InChIInChI=1S/C20H33N5O2/c1-15(23-11-5-6-12-23)18(26)24-13-8-16(9-14-24)25-17(7-10-21-25)22-19(27)20(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3,(H,22,27)
InChIKeyXOGROUCCZJBYAG-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.52
Rot. Bonds4

About 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide

2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide (PubChem CID 56755417) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
PubChem CID56755417
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
SMILESCC(C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1)N1CCCC1
InChIInChI=1S/C20H33N5O2/c1-15(23-11-5-6-12-23)18(26)24-13-8-16(9-14-24)25-17(7-10-21-25)22-19(27)20(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3,(H,22,27)
InChIKeyXOGROUCCZJBYAG-UHFFFAOYSA-N
XLogP2.52
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[1-[(1R)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 26408456
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N-[2-[1-(2-amino-2-oxoethyl)piperidin-4-yl]pyrazol-3-yl]-2,2-dimethylpropanamide
CID 56745480
2,2-dimethyl-N-[2-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56740401
2,2-dimethyl-N-[2-[1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42557179
2,2-dimethyl-N-[2-[1-(1-propylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 26316039
N-[2-[1-[(2R)-2-amino-4,4-dimethylpentanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide;hydrochloride
CID 154884999
2,2-dimethyl-N-[2-[1-(6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 25286412
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
2,2-dimethyl-N-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42522227
N-[2-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 56744490
1-(3-fluorophenyl)-3-[2-[1-[2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide (CID 56755417) is 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide is CC(C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
The InChIKey is XOGROUCCZJBYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-15(23-11-5-6-12-23)18(26)24-13-8-16(9-14-24)25-17(7-10-21-25)22-19(27)20(2,3)4/h7,10,15-16H,5-6,8-9,11-14H2,1-4H3,(H,22,27).
What are the key properties of 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide has a molecular weight of 375.52 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 56755417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).