3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea

C19H28N4O — CID 72909535

IUPAC3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4O/c1-19(2,3)16-8-10-17(11-9-16)21-18(24)22(4)12-6-7-15-13-20-23(5)14-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,24)
InChIKeyRMDDZOPGKWHJMV-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea

3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea (PubChem CID 72909535) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
PubChem CID72909535
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
SMILESCN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N4O/c1-19(2,3)16-8-10-17(11-9-16)21-18(24)22(4)12-6-7-15-13-20-23(5)14-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,24)
InChIKeyRMDDZOPGKWHJMV-UHFFFAOYSA-N
XLogP3.81
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 72882272
3-(3-cyanophenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 72861936
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 95399063
2-[(4-tert-butylbenzoyl)amino]-2-methyl-5-(1-methylpyrazol-4-yl)pentanoic acid
CID 167119422
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[4-(2-thiomorpholin-4-ylethyl)phenyl]urea
CID 49120184
N-tert-butyl-4-[[methyl(3-phenylpropyl)carbamoyl]amino]benzamide
CID 55702135
2-[methyl-[3-(1-methylpyrazol-4-yl)propyl]amino]acetic acid
CID 56703387
3-(4-tert-butylphenyl)-1-(3-hydroxybutyl)-1-methylurea
CID 111578802
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]benzamide
CID 70747441
N-tert-butyl-2-[methyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetamide
CID 78874989
3-[6-(diethylamino)-3-pyridinyl]-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 47041053
3-(1,3-dihydro-2-benzofuran-5-yl)-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 97157164

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
The IUPAC name of 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea (CID 72909535) is 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea.
What is the SMILES notation for 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
The canonical SMILES for 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea is CN(CCCc1cnn(C)c1)C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
The InChIKey is RMDDZOPGKWHJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-19(2,3)16-8-10-17(11-9-16)21-18(24)22(4)12-6-7-15-13-20-23(5)14-15/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,24).
What are the key properties of 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea?
3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea has a molecular weight of 328.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-1-methyl-1-[3-(1-methylpyrazol-4-yl)propyl]urea is sourced from PubChem (CID 72909535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).