1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea

C15H21N5O — CID 118776484

IUPAC1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea
SMILESCc1ccc(N(C)C)cc1NC(=O)NCCc1cn[nH]c1
InChIInChI=1S/C15H21N5O/c1-11-4-5-13(20(2)3)8-14(11)19-15(21)16-7-6-12-9-17-18-10-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)(H2,16,19,21)
InChIKeyRBPXDFRMSUSCKR-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.15
Rot. Bonds5

About 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea

1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea (PubChem CID 118776484) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea
PubChem CID118776484
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea
SMILESCc1ccc(N(C)C)cc1NC(=O)NCCc1cn[nH]c1
InChIInChI=1S/C15H21N5O/c1-11-4-5-13(20(2)3)8-14(11)19-15(21)16-7-6-12-9-17-18-10-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)(H2,16,19,21)
InChIKeyRBPXDFRMSUSCKR-UHFFFAOYSA-N
XLogP2.15
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
1-{[4-(azepan-1-yl)-3,5-difluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 16749351
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
3-1H-indazol-4-yl-1-[(1S)-1-(4-methylphenyl)ethyl]urea
CID 24768210
3-1H-indazol-4-yl-1-[(1R)-1-(4-methylphenyl)ethyl]urea
CID 24768211
1-cycloheptyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10526645
1-cyclohexyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10573963
1-cycloheptyl-1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10574679
1-cyclopentyl-1-[[3-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10597258
1-cycloheptyl-1-[[3-(1H-pyrazol-4-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10670302
1-cycloheptyl-1-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 10717534
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trimethyl-phenyl)-urea
CID 10812268

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea (CID 118776484) is 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea is Cc1ccc(N(C)C)cc1NC(=O)NCCc1cn[nH]c1.
What is the InChIKey of 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
The InChIKey is RBPXDFRMSUSCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-11-4-5-13(20(2)3)8-14(11)19-15(21)16-7-6-12-9-17-18-10-12/h4-5,8-10H,6-7H2,1-3H3,(H,17,18)(H2,16,19,21).
What are the key properties of 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea?
1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea has a molecular weight of 287.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-2-methylphenyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 118776484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).