N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide

C16H29N5O — CID 97094422

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H29N5O/c1-12-10-19(5)7-8-21(12)11-15(22)17-14-9-13(16(2,3)4)18-20(14)6/h9,12H,7-8,10-11H2,1-6H3,(H,17,22)/t12-/m1/s1
InChIKeyMKNVSFMOVMUTEQ-GFCCVEGCSA-N
MW307.44 g/mol
LogP1.29
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide (PubChem CID 97094422) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
PubChem CID97094422
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
SMILESC[C@@H]1CN(C)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C16H29N5O/c1-12-10-19(5)7-8-21(12)11-15(22)17-14-9-13(16(2,3)4)18-20(14)6/h9,12H,7-8,10-11H2,1-6H3,(H,17,22)/t12-/m1/s1
InChIKeyMKNVSFMOVMUTEQ-GFCCVEGCSA-N
XLogP1.29
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-(3-tert-butyl-1-methylpyrazol-5-yl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361550
1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
6-tert-butyl-1H,2H,3H-pyrazolo[1,5-a]imidazol-2-one
CID 135741967
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 45795795
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclopentyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361546
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)acetamide
CID 53568458
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-piperidin-1-ylbutanamide
CID 71459241
N-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)acetamide
CID 6489269
N-(3-cyclopropyl-1-methylpyrazol-5-yl)acetamide
CID 89327754
1-(3-tert-butyl-1-methylpyrazol-5-yl)-N-cyclohexyl-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361542
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2,2-dimethylpropanamide
CID 134796011

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide (CID 97094422) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide is C[C@@H]1CN(C)CCN1CC(=O)Nc1cc(C(C)(C)C)nn1C.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
The InChIKey is MKNVSFMOVMUTEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H29N5O/c1-12-10-19(5)7-8-21(12)11-15(22)17-14-9-13(16(2,3)4)18-20(14)6/h9,12H,7-8,10-11H2,1-6H3,(H,17,22)/t12-/m1/s1.
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide is sourced from PubChem (CID 97094422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).