2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide

C17H22N4O2 — CID 131942164

IUPAC2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
SMILESCc1cc(N)n(CC(=O)NCC2(COc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-13-9-15(18)21(20-13)10-16(22)19-11-17(7-8-17)12-23-14-5-3-2-4-6-14/h2-6,9H,7-8,10-12,18H2,1H3,(H,19,22)
InChIKeyPLZLEFBKEPBKRM-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.75
Rot. Bonds7

About 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide

2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide (PubChem CID 131942164) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
PubChem CID131942164
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
SMILESCc1cc(N)n(CC(=O)NCC2(COc3ccccc3)CC2)n1
InChIInChI=1S/C17H22N4O2/c1-13-9-15(18)21(20-13)10-16(22)19-11-17(7-8-17)12-23-14-5-3-2-4-6-14/h2-6,9H,7-8,10-12,18H2,1H3,(H,19,22)
InChIKeyPLZLEFBKEPBKRM-UHFFFAOYSA-N
XLogP1.75
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3-[[1-(phenoxymethyl)cyclopropyl]methyl]urea
CID 118787300
2-(3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362411
3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122572722
2-(5-amino-3-methylpyrazol-1-yl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 86285777
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 162796893
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 113313077
(2R)-2-methoxy-N-[[1-(phenoxymethyl)cyclopropyl]methyl]propanamide
CID 126423849
2-(5-amino-3-methylpyrazol-1-yl)-N-(2,3-dihydro-1H-inden-2-yl)acetamide
CID 77091883
1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
CID 131939420
5-methyl-2-(3-phenoxypropyl)pyrazol-3-amine
CID 63266275
N-[[1-(phenoxymethyl)cyclopropyl]methyl]-3-pyridin-4-ylpropanamide
CID 118782174
(5R)-3,5-dimethyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]-4H-1,2-oxazole-5-carboxamide
CID 125447128

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide (CID 131942164) is 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide is Cc1cc(N)n(CC(=O)NCC2(COc3ccccc3)CC2)n1.
What is the InChIKey of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide?
The InChIKey is PLZLEFBKEPBKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-9-15(18)21(20-13)10-16(22)19-11-17(7-8-17)12-23-14-5-3-2-4-6-14/h2-6,9H,7-8,10-12,18H2,1H3,(H,19,22).
What are the key properties of 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide?
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 131942164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).