N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C15H25N3O3 — CID 111697775

IUPACN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(O)COCC1CC1
InChIInChI=1S/C15H25N3O3/c1-10-14(11(2)18(3)17-10)6-15(20)16-7-13(19)9-21-8-12-4-5-12/h12-13,19H,4-9H2,1-3H3,(H,16,20)
InChIKeyPYWXLVJUZGVJNJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP0.48
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 111697775) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID111697775
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC NameN-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)NCC(O)COCC1CC1
InChIInChI=1S/C15H25N3O3/c1-10-14(11(2)18(3)17-10)6-15(20)16-7-13(19)9-21-8-12-4-5-12/h12-13,19H,4-9H2,1-3H3,(H,16,20)
InChIKeyPYWXLVJUZGVJNJ-UHFFFAOYSA-N
XLogP0.48
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]propanoic acid
CID 114144238
N-[2-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide;dihydrochloride
CID 120828294
N-(4-hydroxy-2-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 66106247
N-[(2S)-2-hydroxy-2-phenylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 93033990
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-4-methylbenzamide
CID 111662905
N-propyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60705335
1-cyclopropyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-one
CID 105104099
N-cyclohexyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18129488
N-(3-methylbutyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 110695387
N-[2-(2-hydroxyethyl)-4-methylpentyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 111697460
N-(4-methylcyclohexyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36908003
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 111697775) is N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)NCC(O)COCC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PYWXLVJUZGVJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-10-14(11(2)18(3)17-10)6-15(20)16-7-13(19)9-21-8-12-4-5-12/h12-13,19H,4-9H2,1-3H3,(H,16,20).
What are the key properties of N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 295.38 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 111697775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).