N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H21N3O2 — CID 43044813

IUPACN-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-8(7-17-5)13-12(16)6-11-9(2)14-15(4)10(11)3/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyHGFDAPPURLRCAU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.73
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 43044813) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID43044813
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOCC(C)NC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-8(7-17-5)13-12(16)6-11-9(2)14-15(4)10(11)3/h8H,6-7H2,1-5H3,(H,13,16)
InChIKeyHGFDAPPURLRCAU-UHFFFAOYSA-N
XLogP0.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)acetamide
CID 41031989
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47020141
4-[[[2-(1,3,5-Trimethylpyrazol-4-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 56808466
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(methoxyacetyl)-3-piperidinecarboxamide
CID 72880511
N-(oxan-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 110226048
(2-methoxyethyl)[(trimethyl-1H-pyrazol-4-yl)methyl]amine
CID 42281907
(1S*,3R*)-3-amino-N-(2-methoxyethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 56897650
8-[3-(1,3,5-Trimethylpyrazol-4-yl)propanoyl]-1-oxa-4,8-diazacycloundecan-5-one
CID 110201632
N-(dicyclopropylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30757353
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
N-methoxy-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862504

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 43044813) is N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is COCC(C)NC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is HGFDAPPURLRCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(7-17-5)13-12(16)6-11-9(2)14-15(4)10(11)3/h8H,6-7H2,1-5H3,(H,13,16).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 43044813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).