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

C13H24N4O2 — CID 110017451

IUPACN-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
SMILESCCC(C)C(C)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C13H24N4O2/c1-4-10(2)11(3)16-12-7-15-17(8-12)9-13(19)14-5-6-18/h7-8,10-11,16,18H,4-6,9H2,1-3H3,(H,14,19)
InChIKeyHUMCHSJUKCDLDG-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.84
Rot. Bonds8

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

N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide (PubChem CID 110017451) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
PubChem CID110017451
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide
SMILESCCC(C)C(C)Nc1cnn(CC(=O)NCCO)c1
InChIInChI=1S/C13H24N4O2/c1-4-10(2)11(3)16-12-7-15-17(8-12)9-13(19)14-5-6-18/h7-8,10-11,16,18H,4-6,9H2,1-3H3,(H,14,19)
InChIKeyHUMCHSJUKCDLDG-UHFFFAOYSA-N
XLogP0.84
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
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

2-[4-(3,3-dimethylbutan-2-ylamino)pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017445
N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
CID 110017434
2-[4-[1-(2-chlorophenyl)ethylamino]pyrazol-1-yl]-N-(2-hydroxyethyl)acetamide
CID 110017432
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-(3-methoxybutan-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 113354708
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
2-(4-aminopyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43445471
2-[4-(2-methylpentan-3-ylamino)pyrazol-1-yl]acetamide
CID 43783563
N-(2-hydroxyethyl)-2-[4-[(2-methylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 110017367

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide (CID 110017451) is N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide is CCC(C)C(C)Nc1cnn(CC(=O)NCCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is HUMCHSJUKCDLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-10(2)11(3)16-12-7-15-17(8-12)9-13(19)14-5-6-18/h7-8,10-11,16,18H,4-6,9H2,1-3H3,(H,14,19).
What are the key properties of N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-(3-methylpentan-2-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 110017451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).