1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea

C19H24N6O — CID 97445924

IUPAC1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1c(C)c(-c2ccccc2)nn1C)c1cnn(C)c1
InChIInChI=1S/C19H24N6O/c1-5-16(15-11-20-24(3)12-15)21-19(26)22-18-13(2)17(23-25(18)4)14-9-7-6-8-10-14/h6-12,16H,5H2,1-4H3,(H2,21,22,26)/t16-/m0/s1
InChIKeyJYWOBYPVCZSPIF-INIZCTEOSA-N
MW352.44 g/mol
LogP3.40
Rot. Bonds5

About 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea

1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 97445924) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID97445924
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1c(C)c(-c2ccccc2)nn1C)c1cnn(C)c1
InChIInChI=1S/C19H24N6O/c1-5-16(15-11-20-24(3)12-15)21-19(26)22-18-13(2)17(23-25(18)4)14-9-7-6-8-10-14/h6-12,16H,5H2,1-4H3,(H2,21,22,26)/t16-/m0/s1
InChIKeyJYWOBYPVCZSPIF-INIZCTEOSA-N
XLogP3.40
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea (CID 97445924) is 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea is CC[C@H](NC(=O)Nc1c(C)c(-c2ccccc2)nn1C)c1cnn(C)c1.
What is the InChIKey of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is JYWOBYPVCZSPIF-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6O/c1-5-16(15-11-20-24(3)12-15)21-19(26)22-18-13(2)17(23-25(18)4)14-9-7-6-8-10-14/h6-12,16H,5H2,1-4H3,(H2,21,22,26)/t16-/m0/s1.
What are the key properties of 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea?
1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 352.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethyl-3-phenylpyrazol-5-yl)-3-[(1S)-1-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 97445924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).