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

C21H25N5O4 — CID 21091099

IUPAC2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
SMILESCOc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cn1
InChIInChI=1S/C21H25N5O4/c1-14(2)30-20-12-18(26(25-20)16-6-9-19(28-3)24-13-16)15-4-7-17(8-5-15)29-11-10-23-21(22)27/h4-9,12-14H,10-11H2,1-3H3,(H3,22,23,27)
InChIKeyZQDAWKRWPOTDQU-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.78
Rot. Bonds9

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

2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea (PubChem CID 21091099) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea.

Molecular Properties

Compound Name2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
PubChem CID21091099
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea
SMILESCOc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cn1
InChIInChI=1S/C21H25N5O4/c1-14(2)30-20-12-18(26(25-20)16-6-9-19(28-3)24-13-16)15-4-7-17(8-5-15)29-11-10-23-21(22)27/h4-9,12-14H,10-11H2,1-3H3,(H3,22,23,27)
InChIKeyZQDAWKRWPOTDQU-UHFFFAOYSA-N
XLogP2.78
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[3-chloro-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091069
2-[4-[3-(2-methoxyethoxy)-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethylurea
CID 21091064
2-methoxy-5-[5-(4-phenylmethoxyphenyl)-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 21091017
2-[4-[3-(2-hydroxypropan-2-yl)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethylcarbamic acid
CID 69333103
N-[2-[4-[1-(6-methoxy-3-pyridinyl)-3-prop-1-en-2-ylpyrazol-5-yl]phenoxy]ethyl]carbamate
CID 21090821
N-[2-[4-[1-(4-methoxyphenyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethyl]methanesulfonamide
CID 21091096
2-[4-[2-(4-methoxyphenyl)-5-propan-2-yloxy-1,2,4-triazol-3-yl]phenoxy]ethylurea
CID 10386925
[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
2-[4-[3-(2,2-difluoroethoxy)-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]phenoxy]ethanamine;dihydrochloride
CID 21090765
1-[5-[4-[2-(carbamoylamino)ethoxy]phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-1,3,3-trimethylurea
CID 21091141

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea?
The IUPAC name of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea (CID 21091099) is 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea.
What is the SMILES notation for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea?
The canonical SMILES for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea is COc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cn1.
What is the InChIKey of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea?
The InChIKey is ZQDAWKRWPOTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-14(2)30-20-12-18(26(25-20)16-6-9-19(28-3)24-13-16)15-4-7-17(8-5-15)29-11-10-23-21(22)27/h4-9,12-14H,10-11H2,1-3H3,(H3,22,23,27).
What are the key properties of 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea?
2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea has a molecular weight of 411.46 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-yloxypyrazol-5-yl]phenoxy]ethylurea is sourced from PubChem (CID 21091099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).