1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea

C15H20N4O — CID 104620496

IUPAC1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C15H20N4O/c1-10-5-7-11(8-6-10)16-14(20)17-13-9-12(18-19-13)15(2,3)4/h5-9H,1-4H3,(H3,16,17,18,19,20)
InChIKeyMKHYFDQDPAEXAI-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.66
Rot. Bonds2

About 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea

1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea (PubChem CID 104620496) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
PubChem CID104620496
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1
InChIInChI=1S/C15H20N4O/c1-10-5-7-11(8-6-10)16-14(20)17-13-9-12(18-19-13)15(2,3)4/h5-9H,1-4H3,(H3,16,17,18,19,20)
InChIKeyMKHYFDQDPAEXAI-UHFFFAOYSA-N
XLogP3.66
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea
CID 104620407
(E)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)prop-2-enamide
CID 104619965
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-cyanophenyl)urea
CID 104620477
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methoxy-5-methylbenzamide
CID 115603610
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxy-4-methylbenzamide
CID 115603617
N-(4-methylphenyl)-N'-(5-methyl-1H-pyrazol-3-yl)oxamide
CID 63820246
1-(4-tert-butylphenyl)-3-(5-methyl-2-pyridinyl)urea
CID 108884929
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
3-[3-[(5-tert-butyl-1H-pyrazol-3-yl)carbamoylamino]phenoxy]-N-methylbenzamide
CID 25019255
1-(4-tert-butylphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 108884892

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea (CID 104620496) is 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1.
What is the InChIKey of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
The InChIKey is MKHYFDQDPAEXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-5-7-11(8-6-10)16-14(20)17-13-9-12(18-19-13)15(2,3)4/h5-9H,1-4H3,(H3,16,17,18,19,20).
What are the key properties of 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea?
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea has a molecular weight of 272.35 g/mol, XLogP of 3.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 104620496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).