1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea

C19H26N4O — CID 126795018

IUPAC1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea
SMILESCc1cccc(C(C)(C)NC(=O)Nc2cc(C3CCC3)nn2C)c1
InChIInChI=1S/C19H26N4O/c1-13-7-5-10-15(11-13)19(2,3)21-18(24)20-17-12-16(22-23(17)4)14-8-6-9-14/h5,7,10-12,14H,6,8-9H2,1-4H3,(H2,20,21,24)
InChIKeyHFUGQRFTRFNMOU-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.05
Rot. Bonds4

About 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea

1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea (PubChem CID 126795018) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea
PubChem CID126795018
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea
SMILESCc1cccc(C(C)(C)NC(=O)Nc2cc(C3CCC3)nn2C)c1
InChIInChI=1S/C19H26N4O/c1-13-7-5-10-15(11-13)19(2,3)21-18(24)20-17-12-16(22-23(17)4)14-8-6-9-14/h5,7,10-12,14H,6,8-9H2,1-4H3,(H2,20,21,24)
InChIKeyHFUGQRFTRFNMOU-UHFFFAOYSA-N
XLogP4.05
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[[6-(dimethylamino)-2-pyridinyl]methyl]urea
CID 75438164
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
CID 71968697
3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine
CID 115702975
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 75382231
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-4-fluorobenzamide
CID 134798522
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea?
The IUPAC name of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea (CID 126795018) is 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea is Cc1cccc(C(C)(C)NC(=O)Nc2cc(C3CCC3)nn2C)c1.
What is the InChIKey of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea?
The InChIKey is HFUGQRFTRFNMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13-7-5-10-15(11-13)19(2,3)21-18(24)20-17-12-16(22-23(17)4)14-8-6-9-14/h5,7,10-12,14H,6,8-9H2,1-4H3,(H2,20,21,24).
What are the key properties of 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea?
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea has a molecular weight of 326.44 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea is sourced from PubChem (CID 126795018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).