N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide

C13H21N3O2 — CID 122558085

IUPACN-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCC1(COC)CC1)n1cccn1
InChIInChI=1S/C13H21N3O2/c1-3-11(16-8-4-7-15-16)12(17)14-9-13(5-6-13)10-18-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,17)
InChIKeyFILVHGSEDQZMAQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.38
Rot. Bonds7

About N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide

N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 122558085) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide
PubChem CID122558085
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide
SMILESCCC(C(=O)NCC1(COC)CC1)n1cccn1
InChIInChI=1S/C13H21N3O2/c1-3-11(16-8-4-7-15-16)12(17)14-9-13(5-6-13)10-18-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,17)
InChIKeyFILVHGSEDQZMAQ-UHFFFAOYSA-N
XLogP1.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(methoxymethyl)cyclobutyl]methyl]-2-(2-methylimidazol-1-yl)propanamide
CID 119071530
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyrazol-1-ylpropanamide;dihydrochloride
CID 120891919
(2S)-2-pyrazol-1-yl-N-(2-pyrrolidin-1-ylsulfonylethyl)butanamide
CID 97150944
(2S)-N-[(2-ethoxy-3-pyridinyl)methyl]-2-pyrazol-1-ylbutanamide
CID 97151638
(2S)-N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97119973
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 72862860
(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
5-[[[(2S)-2-pyrazol-1-ylbutanoyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124843027
(2R)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-pyrazol-1-ylbutanamide
CID 97149299
N-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 72840622
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
N-[[1-(methoxymethyl)cyclohexyl]methyl]-2-pyridin-2-ylpropanamide
CID 154799526

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide (CID 122558085) is N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide is CCC(C(=O)NCC1(COC)CC1)n1cccn1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is FILVHGSEDQZMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11(16-8-4-7-15-16)12(17)14-9-13(5-6-13)10-18-2/h4,7-8,11H,3,5-6,9-10H2,1-2H3,(H,14,17).
What are the key properties of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide?
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 251.33 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 122558085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).