2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide

C15H19ClN4O3 — CID 119073813

IUPAC2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
SMILESCOCc1cc(CNC(=O)c2cc(Cl)ccc2OCCN)[nH]n1
InChIInChI=1S/C15H19ClN4O3/c1-22-9-12-7-11(19-20-12)8-18-15(21)13-6-10(16)2-3-14(13)23-5-4-17/h2-3,6-7H,4-5,8-9,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyRFKUCEGPTRLARO-UHFFFAOYSA-N
MW338.80 g/mol
LogP1.48
Rot. Bonds8

About 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide

2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide (PubChem CID 119073813) has the molecular formula C15H19ClN4O3 and a molecular weight of 338.80 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
PubChem CID119073813
Molecular FormulaC15H19ClN4O3
Molecular Weight338.80 g/mol
Exact Mass338.11
IUPAC Name2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide
SMILESCOCc1cc(CNC(=O)c2cc(Cl)ccc2OCCN)[nH]n1
InChIInChI=1S/C15H19ClN4O3/c1-22-9-12-7-11(19-20-12)8-18-15(21)13-6-10(16)2-3-14(13)23-5-4-17/h2-3,6-7H,4-5,8-9,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyRFKUCEGPTRLARO-UHFFFAOYSA-N
XLogP1.48
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46982449
N-(3-aminopropyl)-5-chloro-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119405795
2-(2-aminoethoxy)-5-chloro-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 118770271
4-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]-3-methylbutanoic acid
CID 120689709
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
acetic acid;2-(2-aminoethoxy)-5-fluoro-N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]benzamide
CID 154906225
5-chloro-2-(2-chloroethoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 142875477
(2S)-2-amino-3-[4-[2-[[5-chloro-2-(2-methoxyethoxy)benzoyl]amino]ethyl]phenyl]propanoic acid
CID 70592948
2-butoxy-5-chlorobenzohydrazide
CID 54795706
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
N-(3-amino-2-methylpropyl)-5-chloro-2-propoxybenzamide;hydrochloride
CID 119996312
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
The IUPAC name of 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide (CID 119073813) is 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide is COCc1cc(CNC(=O)c2cc(Cl)ccc2OCCN)[nH]n1.
What is the InChIKey of 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
The InChIKey is RFKUCEGPTRLARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O3/c1-22-9-12-7-11(19-20-12)8-18-15(21)13-6-10(16)2-3-14(13)23-5-4-17/h2-3,6-7H,4-5,8-9,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide?
2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide has a molecular weight of 338.80 g/mol, XLogP of 1.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-5-chloro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]benzamide is sourced from PubChem (CID 119073813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).