1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea

C15H21N5O — CID 61339833

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C15H21N5O/c1-10-9-14(20(4)19-10)18-15(21)17-13-7-5-12(6-8-13)11(2)16-3/h5-9,11,16H,1-4H3,(H2,17,18,21)
InChIKeyVFORWYMSQVBUHU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.65
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea (PubChem CID 61339833) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
PubChem CID61339833
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea
SMILESCNC(C)c1ccc(NC(=O)Nc2cc(C)nn2C)cc1
InChIInChI=1S/C15H21N5O/c1-10-9-14(20(4)19-10)18-15(21)17-13-7-5-12(6-8-13)11(2)16-3/h5-9,11,16H,1-4H3,(H2,17,18,21)
InChIKeyVFORWYMSQVBUHU-UHFFFAOYSA-N
XLogP2.65
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(aminomethyl)phenyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 43133017
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(4-propan-2-ylphenyl)urea
CID 35766434
1-(2,5-dimethylpyrazol-3-yl)-3-propan-2-ylurea
CID 115581839
1-[4-[1-(methylamino)ethyl]phenyl]-3-(6-methyl-2-pyridinyl)urea
CID 61339471
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(2,6-dioxopiperidin-4-yl)phenyl]urea
CID 126834804
1-(3-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 47363703
1-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94129017
1-(2,5-dimethylpyrazol-3-yl)-3-(4-phenylmethoxyphenyl)urea
CID 2811727
1,3-dimethyl-N-[4-[1-(methylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 102801381
5-methyl-N-[4-[1-(methylamino)ethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 66157732
N-(2,5-dimethylpyrazol-3-yl)-2-hydroxypropanamide
CID 130679371

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea (CID 61339833) is 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea is CNC(C)c1ccc(NC(=O)Nc2cc(C)nn2C)cc1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
The InChIKey is VFORWYMSQVBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-9-14(20(4)19-10)18-15(21)17-13-7-5-12(6-8-13)11(2)16-3/h5-9,11,16H,1-4H3,(H2,17,18,21).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[4-[1-(methylamino)ethyl]phenyl]urea is sourced from PubChem (CID 61339833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).