1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea

C12H15N5O2 — CID 138025676

IUPAC1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCc2cn[nH]c2)n1
InChIInChI=1S/C12H15N5O2/c1-19-11-4-2-3-10(16-11)17-12(18)13-6-5-9-7-14-15-8-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeyIXQFRMXGYGSUFL-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.18
Rot. Bonds5

About 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea

1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea (PubChem CID 138025676) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea
PubChem CID138025676
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NCCc2cn[nH]c2)n1
InChIInChI=1S/C12H15N5O2/c1-19-11-4-2-3-10(16-11)17-12(18)13-6-5-9-7-14-15-8-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H2,13,16,17,18)
InChIKeyIXQFRMXGYGSUFL-UHFFFAOYSA-N
XLogP1.18
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea
CID 118776484
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
3,5-dimethoxy-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 77093843
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
N-[2-(2-methoxyphenyl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74250779
N-(6-methoxy-2-pyridinyl)azetidine-3-carboxamide;hydrochloride
CID 142435091
1-[2-(3-methoxyphenyl)ethyl]-3-pyridin-2-ylurea
CID 47248692
1-[6-(2,2-difluoroethoxy)-2-pyridinyl]-3-(1H-pyrazol-4-yl)urea
CID 75508141
4-(aminomethyl)-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide;hydrochloride
CID 154901499

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea (CID 138025676) is 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea is COc1cccc(NC(=O)NCCc2cn[nH]c2)n1.
What is the InChIKey of 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
The InChIKey is IXQFRMXGYGSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-19-11-4-2-3-10(16-11)17-12(18)13-6-5-9-7-14-15-8-9/h2-4,7-8H,5-6H2,1H3,(H,14,15)(H2,13,16,17,18).
What are the key properties of 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea has a molecular weight of 261.29 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-pyridinyl)-3-[2-(1H-pyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 138025676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).