[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate

C20H22N4O3 — CID 68561768

IUPAC[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2N(C)C)c1
InChIInChI=1S/C20H22N4O3/c1-24(2)18-10-15(16-12-22-23-13-16)7-8-19(18)27-20(25)21-11-14-5-4-6-17(9-14)26-3/h4-10,12-13H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyGQVWDARHYYIPJV-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.44
Rot. Bonds6

About [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate

[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate (PubChem CID 68561768) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate
PubChem CID68561768
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate
SMILESCOc1cccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2N(C)C)c1
InChIInChI=1S/C20H22N4O3/c1-24(2)18-10-15(16-12-22-23-13-16)7-8-19(18)27-20(25)21-11-14-5-4-6-17(9-14)26-3/h4-10,12-13H,11H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyGQVWDARHYYIPJV-UHFFFAOYSA-N
XLogP3.44
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1H-pyrazol-4-yl)-2-(pyrrolidin-2-ylmethoxy)phenyl] N-[(3-methoxyphenyl)methyl]carbamate
CID 45381062
1-[2-(dimethylamino)ethyl]-3-[(3-methoxyphenyl)methyl]-1-[2-[(3-methoxyphenyl)methylcarbamoylamino]-5-(1H-pyrazol-4-yl)phenyl]urea
CID 68565358
1-[2-(dimethylamino)ethyl]-3-[(3-methoxyphenyl)methyl]-1-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654972
1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)-2-(trifluoromethyl)phenyl]urea
CID 68566487
1-[2-(dimethylamino)ethyl]-3-[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea;tris(2,2,2-trifluoroacetic acid)
CID 117077717
1-ethyl-1-[(3-methoxyphenyl)methyl]-3-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562576
N-[[3-(1H-pyrazol-4-yl)phenyl]methyl]propanamide
CID 66854523
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
N-[(3-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51153757
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
N-[(3-methoxyphenyl)methyl]-1-methyl-6-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 57395101
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 117077597

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate?
The IUPAC name of [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate (CID 68561768) is [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate is COc1cccc(CNC(=O)Oc2ccc(-c3cn[nH]c3)cc2N(C)C)c1.
What is the InChIKey of [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate?
The InChIKey is GQVWDARHYYIPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-24(2)18-10-15(16-12-22-23-13-16)7-8-19(18)27-20(25)21-11-14-5-4-6-17(9-14)26-3/h4-10,12-13H,11H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate?
[2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-4-(1H-pyrazol-4-yl)phenyl] N-[(3-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 68561768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).