1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

C19H25N7O — CID 74231995

IUPAC1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)NC(C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H25N7O/c1-12(2)26-15(5)18(14(4)24-26)23-19(27)22-13(3)16-6-8-17(9-7-16)25-11-20-10-21-25/h6-13H,1-5H3,(H2,22,23,27)
InChIKeyGBRZFUYRDUOAEJ-UHFFFAOYSA-N
MW367.46 g/mol
LogP3.54
Rot. Bonds5

About 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea (PubChem CID 74231995) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
PubChem CID74231995
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
SMILESCc1nn(C(C)C)c(C)c1NC(=O)NC(C)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C19H25N7O/c1-12(2)26-15(5)18(14(4)24-26)23-19(27)22-13(3)16-6-8-17(9-7-16)25-11-20-10-21-25/h6-13H,1-5H3,(H2,22,23,27)
InChIKeyGBRZFUYRDUOAEJ-UHFFFAOYSA-N
XLogP3.54
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-nitrophenyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 60592148
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2-(4-methylphenyl)-2-oxo-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
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(E)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pent-2-enamide
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(2R)-2-butylsulfanyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
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4-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,3-thiazole-2-carboxamide
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1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
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1-(pyridin-2-ylmethyl)-3-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 94016952
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 55484925
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclohexanecarboxamide
CID 17427032
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344
(2R)-2-(3-methylphenoxy)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The IUPAC name of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea (CID 74231995) is 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea.
What is the SMILES notation for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The canonical SMILES for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea is Cc1nn(C(C)C)c(C)c1NC(=O)NC(C)c1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
The InChIKey is GBRZFUYRDUOAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O/c1-12(2)26-15(5)18(14(4)24-26)23-19(27)22-13(3)16-6-8-17(9-7-16)25-11-20-10-21-25/h6-13H,1-5H3,(H2,22,23,27).
What are the key properties of 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea?
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea has a molecular weight of 367.46 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea is sourced from PubChem (CID 74231995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).