N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate

C21H21N4O4- — CID 21090821

IUPACN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
SMILESC=C(C)c1cc(-c2ccc(OCCNC(=O)[O-])cc2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C21H22N4O4/c1-14(2)18-12-19(25(24-18)16-6-9-20(28-3)23-13-16)15-4-7-17(8-5-15)29-11-10-22-21(26)27/h4-9,12-13,22H,1,10-11H2,2-3H3,(H,26,27)/p-1
InChIKeyIIUOYXGKNLNWTK-UHFFFAOYSA-M
MW393.42 g/mol
LogP2.29
Rot. Bonds8

About N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate

N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate (PubChem CID 21090821) has the molecular formula C21H21N4O4- and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate.

Molecular Properties

Compound NameN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
PubChem CID21090821
Molecular FormulaC21H21N4O4-
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC NameN-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
SMILESC=C(C)c1cc(-c2ccc(OCCNC(=O)[O-])cc2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C21H22N4O4/c1-14(2)18-12-19(25(24-18)16-6-9-20(28-3)23-13-16)15-4-7-17(8-5-15)29-11-10-22-21(26)27/h4-9,12-13,22H,1,10-11H2,2-3H3,(H,26,27)/p-1
InChIKeyIIUOYXGKNLNWTK-UHFFFAOYSA-M
XLogP2.29
TPSA101.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091094
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[3-(2-hydroxypropan-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylcarbamic acid
CID 69333103
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091079
5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 21090968
tert-butyl N-[2-[4-[3-[methoxy(methyl)carbamoyl]-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethyl]carbamate
CID 58806700
2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanol
CID 58806821
2-[4-[1-(6-methoxy-3-pyridinyl)-3-(trifluoromethyl)pyrazol-5-yl]phenoxy]ethanol;hydrochloride
CID 159291199
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate?
The IUPAC name of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate (CID 21090821) is N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate.
What is the SMILES notation for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate?
The canonical SMILES for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate is C=C(C)c1cc(-c2ccc(OCCNC(=O)[O-])cc2)n(-c2ccc(OC)nc2)n1.
What is the InChIKey of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate?
The InChIKey is IIUOYXGKNLNWTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22N4O4/c1-14(2)18-12-19(25(24-18)16-6-9-20(28-3)23-13-16)15-4-7-17(8-5-15)29-11-10-22-21(26)27/h4-9,12-13,22H,1,10-11H2,2-3H3,(H,26,27)/p-1.
What are the key properties of N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate?
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate has a molecular weight of 393.42 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate is sourced from PubChem (CID 21090821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).