2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

C13H24N4O2 — CID 110017445

IUPAC2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Nc1cnn(CC(=O)NCCO)c1)C(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-10(13(2,3)4)16-11-7-15-17(8-11)9-12(19)14-5-6-18/h7-8,10,16,18H,5-6,9H2,1-4H3,(H,14,19)
InChIKeyBFGZBVHUJGTLKO-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.84
Rot. Bonds6

About 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide

2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 110017445) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID110017445
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
SMILESCC(Nc1cnn(CC(=O)NCCO)c1)C(C)(C)C
InChIInChI=1S/C13H24N4O2/c1-10(13(2,3)4)16-11-7-15-17(8-11)9-12(19)14-5-6-18/h7-8,10,16,18H,5-6,9H2,1-4H3,(H,14,19)
InChIKeyBFGZBVHUJGTLKO-UHFFFAOYSA-N
XLogP0.84
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
CID 110017451
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017432
N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017434
N-(3,3-dimethylbutan-2-yl)-1-ethylpyrazol-4-amine
CID 115922661
2-[4-[1-(5-fluoro-2-pyridinyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017430
2-[4-[1-(4-fluorophenyl)propan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017463
N-(2-hydroxyethyl)-2-[4-(1-naphthalen-2-ylethylamino)pyrazol-1-yl]acetamide
CID 110017473
2-[4-[4-(2-fluorophenyl)butan-2-ylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017479
N-(2-hydroxyethyl)-2-[4-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017438
N-(2-hydroxyethyl)-2-[4-[(3-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 110017089
N-(2-hydroxyethyl)-2-[4-[(2-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 110017367
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide (CID 110017445) is 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is CC(Nc1cnn(CC(=O)NCCO)c1)C(C)(C)C.
What is the InChIKey of 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is BFGZBVHUJGTLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-10(13(2,3)4)16-11-7-15-17(8-11)9-12(19)14-5-6-18/h7-8,10,16,18H,5-6,9H2,1-4H3,(H,14,19).
What are the key properties of 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide?
2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 110017445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).