3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea

C18H26N4O2 — CID 119072067

IUPAC3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea
SMILESCCCN(Cc1cccc(OC)c1)C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C18H26N4O2/c1-5-9-22(12-15-7-6-8-16(10-15)24-4)18(23)19-11-17-13(2)20-21-14(17)3/h6-8,10H,5,9,11-12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyMIFKACPXGCKPMD-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.16
Rot. Bonds7

About 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea

3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea (PubChem CID 119072067) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea
PubChem CID119072067
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea
SMILESCCCN(Cc1cccc(OC)c1)C(=O)NCc1c(C)n[nH]c1C
InChIInChI=1S/C18H26N4O2/c1-5-9-22(12-15-7-6-8-16(10-15)24-4)18(23)19-11-17-13(2)20-21-14(17)3/h6-8,10H,5,9,11-12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyMIFKACPXGCKPMD-UHFFFAOYSA-N
XLogP3.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea?
The IUPAC name of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea (CID 119072067) is 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea.
What is the SMILES notation for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea?
The canonical SMILES for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea is CCCN(Cc1cccc(OC)c1)C(=O)NCc1c(C)n[nH]c1C.
What is the InChIKey of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea?
The InChIKey is MIFKACPXGCKPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-9-22(12-15-7-6-8-16(10-15)24-4)18(23)19-11-17-13(2)20-21-14(17)3/h6-8,10H,5,9,11-12H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea?
3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea has a molecular weight of 330.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-[(3-methoxyphenyl)methyl]-1-propylurea is sourced from PubChem (CID 119072067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).