2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C14H24N4O2 — CID 111858654

IUPAC2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(C)CC(O)C1CC1
InChIInChI=1S/C14H24N4O2/c1-9-14(10(2)18(4)16-9)15-13(20)8-17(3)7-12(19)11-5-6-11/h11-12,19H,5-8H2,1-4H3,(H,15,20)
InChIKeyIAMXOVPOHSEUNZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.68
Rot. Bonds6

About 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 111858654) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID111858654
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CN(C)CC(O)C1CC1
InChIInChI=1S/C14H24N4O2/c1-9-14(10(2)18(4)16-9)15-13(20)8-17(3)7-12(19)11-5-6-11/h11-12,19H,5-8H2,1-4H3,(H,15,20)
InChIKeyIAMXOVPOHSEUNZ-UHFFFAOYSA-N
XLogP0.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-aminoethyl(methyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 62687728
ethyl 2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetate
CID 62011215
2-[bis(2-hydroxyethyl)amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60686676
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]acetamide
CID 8552057
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
(2R)-2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8911415
2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
N-methyl-4-[[methyl-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]amino]methyl]benzamide
CID 9125891
2-(prop-2-ynylamino)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 78912800
N,N-dimethyl-1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]pyrrolidine-2-carboxamide
CID 134031692
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 111858654) is 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CN(C)CC(O)C1CC1.
What is the InChIKey of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is IAMXOVPOHSEUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9-14(10(2)18(4)16-9)15-13(20)8-17(3)7-12(19)11-5-6-11/h11-12,19H,5-8H2,1-4H3,(H,15,20).
What are the key properties of 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 111858654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).