1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea

C16H23N5O — CID 94078524

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
SMILESCc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)n(C)n1
InChIInChI=1S/C16H23N5O/c1-12-10-15(21(4)19-12)18-16(22)17-11-13(2)20(3)14-8-6-5-7-9-14/h5-10,13H,11H2,1-4H3,(H2,17,18,22)/t13-/m1/s1
InChIKeyADDGFTOTASVIOM-CYBMUJFWSA-N
MW301.39 g/mol
LogP2.37
Rot. Bonds5

About 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea

1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea (PubChem CID 94078524) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
PubChem CID94078524
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea
SMILESCc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)n(C)n1
InChIInChI=1S/C16H23N5O/c1-12-10-15(21(4)19-12)18-16(22)17-11-13(2)20(3)14-8-6-5-7-9-14/h5-10,13H,11H2,1-4H3,(H2,17,18,22)/t13-/m1/s1
InChIKeyADDGFTOTASVIOM-CYBMUJFWSA-N
XLogP2.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3-(2-phenylbutyl)urea
CID 51080232
1-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 51080234
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
N-[(2R)-2-(N-methylanilino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 51728407
1-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 94174620
1-[(2S)-2-hydroxypropyl]-3-(5-methyl-2-phenylpyrazol-3-yl)urea
CID 95133488
1-[(2R)-2-(N-methylanilino)propyl]-3-(3-pyrazol-1-ylphenyl)urea
CID 51954037
1-[(2R)-2-(N-methylanilino)propyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51946427
tert-butyl N-[(2R)-3-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]-2-methylpropyl]-N-methylcarbamate
CID 95318224
1-[2-(N-methylanilino)propyl]-3-[4-(1-methylimidazole-2-carbonyl)phenyl]urea
CID 51115577
1-[2-chloro-5-(diethylsulfamoyl)phenyl]-3-[2-(N-methylanilino)propyl]urea
CID 55701839
N-[2-fluoro-5-[[(2R)-2-(N-methylanilino)propyl]carbamoylamino]phenyl]acetamide
CID 51946412

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea (CID 94078524) is 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea is Cc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea?
The InChIKey is ADDGFTOTASVIOM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-10-15(21(4)19-12)18-16(22)17-11-13(2)20(3)14-8-6-5-7-9-14/h5-10,13H,11H2,1-4H3,(H2,17,18,22)/t13-/m1/s1.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea?
1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea has a molecular weight of 301.39 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-[(2R)-2-(N-methylanilino)propyl]urea is sourced from PubChem (CID 94078524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).