3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea

C19H24N4O3 — CID 72842905

IUPAC3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
SMILESCOc1ccc(C(C)=O)cc1NC(=O)N(C)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C19H24N4O3/c1-12(24)13-8-9-18(26-3)16(10-13)20-19(25)23(2)11-17-14-6-4-5-7-15(14)21-22-17/h8-10H,4-7,11H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyUBKWKOFTGOTORH-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.16
Rot. Bonds5

About 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea

3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea (PubChem CID 72842905) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea.

Molecular Properties

Compound Name3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
PubChem CID72842905
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
SMILESCOc1ccc(C(C)=O)cc1NC(=O)N(C)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C19H24N4O3/c1-12(24)13-8-9-18(26-3)16(10-13)20-19(25)23(2)11-17-14-6-4-5-7-15(14)21-22-17/h8-10H,4-7,11H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyUBKWKOFTGOTORH-UHFFFAOYSA-N
XLogP3.16
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea with MolForge

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Related Compounds

3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 122558422
3-[2-(cyclopropylmethyl)pyrazol-3-yl]-1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methylurea
CID 72922280
1-methyl-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)urea
CID 72923986
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46323290
3-[3-[cyclopentyl(methyl)amino]propyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 121497078
1-(5-acetyl-2-methoxyphenyl)-3-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72889978
3-(2,5-dimethoxyphenyl)-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46964164
methyl 3-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl-methylcarbamoyl]amino]-4-methoxybenzoate
CID 72864766
4-methoxy-3-[[methyl(naphthalen-2-ylmethyl)carbamoyl]amino]benzamide
CID 71893360
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165425789
1-[1-methyl-5-[[methyl(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)amino]methyl]pyrrol-3-yl]ethanone
CID 77080279
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
CID 50967991

Frequently Asked Questions

What is the IUPAC name of 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?
The IUPAC name of 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea (CID 72842905) is 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea.
What is the SMILES notation for 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?
The canonical SMILES for 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea is COc1ccc(C(C)=O)cc1NC(=O)N(C)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?
The InChIKey is UBKWKOFTGOTORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-12(24)13-8-9-18(26-3)16(10-13)20-19(25)23(2)11-17-14-6-4-5-7-15(14)21-22-17/h8-10H,4-7,11H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea?
3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea has a molecular weight of 356.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-acetyl-2-methoxyphenyl)-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea is sourced from PubChem (CID 72842905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).