1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea

C18H25N5O — CID 84599936

IUPAC1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCC1CN(Cc2ccccc2)CC1NC(=O)NCc1cnn(C)c1
InChIInChI=1S/C18H25N5O/c1-14-10-23(12-15-6-4-3-5-7-15)13-17(14)21-18(24)19-8-16-9-20-22(2)11-16/h3-7,9,11,14,17H,8,10,12-13H2,1-2H3,(H2,19,21,24)
InChIKeyPXAUZELPZXUMFP-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.74
Rot. Bonds5

About 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea

1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 84599936) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID84599936
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCC1CN(Cc2ccccc2)CC1NC(=O)NCc1cnn(C)c1
InChIInChI=1S/C18H25N5O/c1-14-10-23(12-15-6-4-3-5-7-15)13-17(14)21-18(24)19-8-16-9-20-22(2)11-16/h3-7,9,11,14,17H,8,10,12-13H2,1-2H3,(H2,19,21,24)
InChIKeyPXAUZELPZXUMFP-UHFFFAOYSA-N
XLogP1.74
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 84599936) is 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea is CC1CN(Cc2ccccc2)CC1NC(=O)NCc1cnn(C)c1.
What is the InChIKey of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is PXAUZELPZXUMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-10-23(12-15-6-4-3-5-7-15)13-17(14)21-18(24)19-8-16-9-20-22(2)11-16/h3-7,9,11,14,17H,8,10,12-13H2,1-2H3,(H2,19,21,24).
What are the key properties of 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 327.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-4-methylpyrrolidin-3-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 84599936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).