1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea

C21H25N5O — CID 166360065

IUPAC1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea
SMILESCc1ccc(-n2ccc(NC(=O)NCc3cncc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C21H25N5O/c1-15-5-7-18(8-6-15)26-10-9-19(25-26)24-20(27)23-13-16-11-17(14-22-12-16)21(2,3)4/h5-12,14H,13H2,1-4H3,(H2,23,24,25,27)
InChIKeyDCAHLGPNGUHUSH-UHFFFAOYSA-N
MW363.47 g/mol
LogP4.19
Rot. Bonds4

About 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea

1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea (PubChem CID 166360065) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea
PubChem CID166360065
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea
SMILESCc1ccc(-n2ccc(NC(=O)NCc3cncc(C(C)(C)C)c3)n2)cc1
InChIInChI=1S/C21H25N5O/c1-15-5-7-18(8-6-15)26-10-9-19(25-26)24-20(27)23-13-16-11-17(14-22-12-16)21(2,3)4/h5-12,14H,13H2,1-4H3,(H2,23,24,25,27)
InChIKeyDCAHLGPNGUHUSH-UHFFFAOYSA-N
XLogP4.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[1-(4-methylphenyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 167967330
N-[1-(4-methylphenyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 166359813
3-(4-methylphenyl)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55536355
1-(5-bromo-6-methyl-2-pyridinyl)-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 99822609
1-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-(1-phenylpyrazol-3-yl)urea
CID 55696108
1-(1-phenylpyrazol-3-yl)-3-[2-(pyrazin-2-ylamino)ethyl]urea
CID 47048760
1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 121196495
1-[1-(4-chlorophenyl)pyrazol-3-yl]-3-(2-cyclopropyl-2-methoxypropyl)urea
CID 146135202
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-(pyridin-3-ylmethyl)-3-[1-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
CID 60615939
1-benzyl-3-[(5-methyl-3-pyridinyl)methyl]urea
CID 138691564
1-[(4-methylphenyl)methyl]-3-[2-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 16608929

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea (CID 166360065) is 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea is Cc1ccc(-n2ccc(NC(=O)NCc3cncc(C(C)(C)C)c3)n2)cc1.
What is the InChIKey of 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea?
The InChIKey is DCAHLGPNGUHUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-5-7-18(8-6-15)26-10-9-19(25-26)24-20(27)23-13-16-11-17(14-22-12-16)21(2,3)4/h5-12,14H,13H2,1-4H3,(H2,23,24,25,27).
What are the key properties of 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea?
1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea has a molecular weight of 363.47 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)pyrazol-3-yl]urea is sourced from PubChem (CID 166360065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).