[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid

C21H24N4O4 — CID 90156211

IUPAC[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid
SMILESCc1c(OCC(COCc2ccccc2)NC(=O)O)nn(-c2ccccc2)c1N
InChIInChI=1S/C21H24N4O4/c1-15-19(22)25(18-10-6-3-7-11-18)24-20(15)29-14-17(23-21(26)27)13-28-12-16-8-4-2-5-9-16/h2-11,17,23H,12-14,22H2,1H3,(H,26,27)
InChIKeyIANVCIJGWWIZIO-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.99
Rot. Bonds9

About [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid

[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid (PubChem CID 90156211) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid
PubChem CID90156211
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid
SMILESCc1c(OCC(COCc2ccccc2)NC(=O)O)nn(-c2ccccc2)c1N
InChIInChI=1S/C21H24N4O4/c1-15-19(22)25(18-10-6-3-7-11-18)24-20(15)29-14-17(23-21(26)27)13-28-12-16-8-4-2-5-9-16/h2-11,17,23H,12-14,22H2,1H3,(H,26,27)
InChIKeyIANVCIJGWWIZIO-UHFFFAOYSA-N
XLogP2.99
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-4-methyl-1-phenylpyrazol-3-yl) carbamate
CID 174915893
[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]urea
CID 71041411
5-amino-4-methyl-1-phenylpyrazole-3-carbohydrazide
CID 151938609
tert-butyl 3-[(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxymethyl]-3-fluoropyrrolidine-1-carboxylate
CID 90156072
(1-chloro-3-phenylmethoxypropan-2-yl)urea
CID 86055606
phenyl N-[3-[(2S)-2-hydroxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]carbamate
CID 89189178
[5-(5-amino-4-methyl-1-phenylpyrazol-3-yl)-2-methoxy-3-pyridinyl]methyl acetate;formaldehyde;methanamine
CID 145229033
N-methyl-1,3-bis(phenylmethoxy)propan-2-amine
CID 20583824
1-[3-[(2S)-2-hydroxy-3-methoxypropoxy]-4-methyl-1-phenylpyrazol-5-yl]-3-methylurea
CID 126548143
[(1R)-2-phenylmethoxy-1-(2H-tetrazol-5-yl)ethyl]carbamic acid
CID 118308786
methyl (2S)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 44630138
methyl (2R)-2-amino-3-phenylmethoxypropanoate;hydrochloride
CID 119088438

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid?
The IUPAC name of [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid (CID 90156211) is [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid?
The canonical SMILES for [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid is Cc1c(OCC(COCc2ccccc2)NC(=O)O)nn(-c2ccccc2)c1N.
What is the InChIKey of [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid?
The InChIKey is IANVCIJGWWIZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-15-19(22)25(18-10-6-3-7-11-18)24-20(15)29-14-17(23-21(26)27)13-28-12-16-8-4-2-5-9-16/h2-11,17,23H,12-14,22H2,1H3,(H,26,27).
What are the key properties of [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid?
[1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid has a molecular weight of 396.45 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-4-methyl-1-phenylpyrazol-3-yl)oxy-3-phenylmethoxypropan-2-yl]carbamic acid is sourced from PubChem (CID 90156211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).