1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea

C16H19N7O — CID 71861224

IUPAC1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
SMILESCC(C)Cn1cc(NC(=O)Nc2ccc(-n3ccnn3)cc2)cn1
InChIInChI=1S/C16H19N7O/c1-12(2)10-22-11-14(9-18-22)20-16(24)19-13-3-5-15(6-4-13)23-8-7-17-21-23/h3-9,11-12H,10H2,1-2H3,(H2,19,20,24)
InChIKeyRLMXYGRYWCUJOM-UHFFFAOYSA-N
MW325.38 g/mol
LogP2.76
Rot. Bonds5

About 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea

1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea (PubChem CID 71861224) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
PubChem CID71861224
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea
SMILESCC(C)Cn1cc(NC(=O)Nc2ccc(-n3ccnn3)cc2)cn1
InChIInChI=1S/C16H19N7O/c1-12(2)10-22-11-14(9-18-22)20-16(24)19-13-3-5-15(6-4-13)23-8-7-17-21-23/h3-9,11-12H,10H2,1-2H3,(H2,19,20,24)
InChIKeyRLMXYGRYWCUJOM-UHFFFAOYSA-N
XLogP2.76
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-hydroxy-4-methylpentan-2-yl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475816
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
1-(2,2-diethoxyethyl)-3-[4-(triazol-1-yl)phenyl]urea
CID 10519663
1-[2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[4-(triazol-1-yl)phenyl]urea
CID 86790045
1-(2-hydroxy-2-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111475794
4-methyl-4-[[1-(2-methylpropyl)pyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122085895
2-(methylamino)-N-[1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 119809382
1-[4-(1-aminoethyl)phenyl]-3-(1-ethylpyrazol-4-yl)urea
CID 61339861
1-(2-hydroxypropyl)-1-propan-2-yl-3-[4-(triazol-1-yl)phenyl]urea
CID 111969731
1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 97060214
1-(3-hydroxy-3-phenylpropyl)-3-[1-(2-methylpropyl)pyrazol-4-yl]urea
CID 111840718
2-methyl-3-[methyl-[[4-(triazol-1-yl)phenyl]carbamoyl]amino]propanoic acid
CID 122078901

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea?
The IUPAC name of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea (CID 71861224) is 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea?
The canonical SMILES for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea is CC(C)Cn1cc(NC(=O)Nc2ccc(-n3ccnn3)cc2)cn1.
What is the InChIKey of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea?
The InChIKey is RLMXYGRYWCUJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-12(2)10-22-11-14(9-18-22)20-16(24)19-13-3-5-15(6-4-13)23-8-7-17-21-23/h3-9,11-12H,10H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea?
1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea has a molecular weight of 325.38 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)pyrazol-4-yl]-3-[4-(triazol-1-yl)phenyl]urea is sourced from PubChem (CID 71861224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).