2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea

C18H18ClN5O3 — CID 21091069

IUPAC2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
SMILESCOc1ccc(-n2nc(Cl)cc2-c2ccc(OCCNC(N)=O)cc2)cn1
InChIInChI=1S/C18H18ClN5O3/c1-26-17-7-4-13(11-22-17)24-15(10-16(19)23-24)12-2-5-14(6-3-12)27-9-8-21-18(20)25/h2-7,10-11H,8-9H2,1H3,(H3,20,21,25)
InChIKeyCYPGXQVFUHWELD-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.64
Rot. Bonds7

About 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea

2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea (PubChem CID 21091069) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea.

Molecular Properties

Compound Name2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
PubChem CID21091069
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
SMILESCOc1ccc(-n2nc(Cl)cc2-c2ccc(OCCNC(N)=O)cc2)cn1
InChIInChI=1S/C18H18ClN5O3/c1-26-17-7-4-13(11-22-17)24-15(10-16(19)23-24)12-2-5-14(6-3-12)27-9-8-21-18(20)25/h2-7,10-11H,8-9H2,1H3,(H3,20,21,25)
InChIKeyCYPGXQVFUHWELD-UHFFFAOYSA-N
XLogP2.64
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenoxy]ethylurea
CID 21091103
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
CID 21091099
2-[4-[3-(2-hydroxypropan-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylcarbamic acid
CID 69333103
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
CID 21090821
[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]carbamic acid
CID 21090964
5-[4-[2-(carbamoylamino)ethyl]phenyl]-N-methoxy-1-(6-methoxy-3-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 21090968
1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
CID 21091141
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091094
2-[4-[5-methoxy-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10022837
N-[2-[4-[3-(difluoromethyl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091079

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea?
The IUPAC name of 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea (CID 21091069) is 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea.
What is the SMILES notation for 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea?
The canonical SMILES for 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea is COc1ccc(-n2nc(Cl)cc2-c2ccc(OCCNC(N)=O)cc2)cn1.
What is the InChIKey of 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea?
The InChIKey is CYPGXQVFUHWELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-26-17-7-4-13(11-22-17)24-15(10-16(19)23-24)12-2-5-14(6-3-12)27-9-8-21-18(20)25/h2-7,10-11H,8-9H2,1H3,(H3,20,21,25).
What are the key properties of 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea?
2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea has a molecular weight of 387.83 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea is sourced from PubChem (CID 21091069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).