4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

C15H25N5O2 — CID 86994233

IUPAC4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(C(C)(C)C)[nH]n2)CC1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)12-10-11(16-17-12)13(21)19-6-8-20(9-7-19)14(22)18(4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyPLYMZIODBMYCPH-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.15
Rot. Bonds1

About 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide

4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 86994233) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID86994233
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2cc(C(C)(C)C)[nH]n2)CC1
InChIInChI=1S/C15H25N5O2/c1-15(2,3)12-10-11(16-17-12)13(21)19-6-8-20(9-7-19)14(22)18(4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyPLYMZIODBMYCPH-UHFFFAOYSA-N
XLogP1.15
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
(5-tert-butyl-1H-pyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853153
1-(5-tert-butyl-1H-pyrazole-3-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251846
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
(5-tert-butyl-1H-pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854273
1-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-2-(4-chlorophenoxy)ethanone
CID 86821006
[3-(aminomethyl)pyrrolidin-1-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 119486615
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
(5-tert-butyl-1H-pyrazol-3-yl)-[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]methanone
CID 110109059
[(3aR,6aS)-5-methoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-tert-butyl-1H-pyrazol-3-yl)methanone
CID 110126452

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide (CID 86994233) is 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2cc(C(C)(C)C)[nH]n2)CC1.
What is the InChIKey of 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is PLYMZIODBMYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,3)12-10-11(16-17-12)13(21)19-6-8-20(9-7-19)14(22)18(4)5/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 86994233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).