2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide

C16H22N4O — CID 43695086

IUPAC2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1ccc(CNc2cnn(CC(N)=O)c2)cc1
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-6-4-12(5-7-13)8-18-14-9-19-20(10-14)11-15(17)21/h4-7,9-10,18H,8,11H2,1-3H3,(H2,17,21)
InChIKeyKPSBWILMKZWFFU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.28
Rot. Bonds5

About 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 43695086) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
PubChem CID43695086
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
SMILESCC(C)(C)c1ccc(CNc2cnn(CC(N)=O)c2)cc1
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-6-4-12(5-7-13)8-18-14-9-19-20(10-14)11-15(17)21/h4-7,9-10,18H,8,11H2,1-3H3,(H2,17,21)
InChIKeyKPSBWILMKZWFFU-UHFFFAOYSA-N
XLogP2.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
4-[[[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]amino]methyl]benzoic acid
CID 122032636
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
2-[4-(butylamino)pyrazol-1-yl]acetamide
CID 43695314
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695053
2-[4-[(2,4-dichlorophenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695144
2-[4-[(2-hydroxy-4-methoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 61263067

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide (CID 43695086) is 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide is CC(C)(C)c1ccc(CNc2cnn(CC(N)=O)c2)cc1.
What is the InChIKey of 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is KPSBWILMKZWFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)13-6-4-12(5-7-13)8-18-14-9-19-20(10-14)11-15(17)21/h4-7,9-10,18H,8,11H2,1-3H3,(H2,17,21).
What are the key properties of 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).