1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea

C18H23N7O2 — CID 71857033

IUPAC1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea
SMILESCOCCn1cc(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cn1
InChIInChI=1S/C18H23N7O2/c1-18(2,16-13-25(23-22-16)15-7-5-4-6-8-15)21-17(26)20-14-11-19-24(12-14)9-10-27-3/h4-8,11-13H,9-10H2,1-3H3,(H2,20,21,26)
InChIKeyXIOWLBFQUMSIJA-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.17
Rot. Bonds7

About 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea

1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea (PubChem CID 71857033) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea
PubChem CID71857033
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea
SMILESCOCCn1cc(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cn1
InChIInChI=1S/C18H23N7O2/c1-18(2,16-13-25(23-22-16)15-7-5-4-6-8-15)21-17(26)20-14-11-19-24(12-14)9-10-27-3/h4-8,11-13H,9-10H2,1-3H3,(H2,20,21,26)
InChIKeyXIOWLBFQUMSIJA-UHFFFAOYSA-N
XLogP2.17
TPSA98.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea with MolForge

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Related Compounds

3-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428582
2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]acetamide
CID 119345024
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
2-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 54878147
(2R)-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]-4-methylpentanoic acid
CID 78976075
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
3-amino-3-hydroxyimino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-2,2-dimethylpropanamide
CID 76921677
4-[2-(1-phenyltriazol-4-yl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024393
1-(4-hydroxy-2-methylbutan-2-yl)-3-(1-phenylpyrazol-4-yl)urea
CID 111926533
2-amino-N-[2-(1-phenyltriazol-4-yl)propan-2-yl]pentanamide
CID 119345028
N-[2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenyl]acetamide
CID 66418036
3-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 126833913

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea?
The IUPAC name of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea (CID 71857033) is 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea is COCCn1cc(NC(=O)NC(C)(C)c2cn(-c3ccccc3)nn2)cn1.
What is the InChIKey of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea?
The InChIKey is XIOWLBFQUMSIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-18(2,16-13-25(23-22-16)15-7-5-4-6-8-15)21-17(26)20-14-11-19-24(12-14)9-10-27-3/h4-8,11-13H,9-10H2,1-3H3,(H2,20,21,26).
What are the key properties of 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea?
1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea has a molecular weight of 369.43 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)pyrazol-4-yl]-3-[2-(1-phenyltriazol-4-yl)propan-2-yl]urea is sourced from PubChem (CID 71857033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).