1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea

C16H23N5O — CID 118729137

IUPAC1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCNC(=O)N(CCCN(C)C)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H23N5O/c1-17-16(22)21(10-4-9-20(2)3)15-7-5-13(6-8-15)14-11-18-19-12-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyJFEOXRGEOATFAC-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.17
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea

1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 118729137) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID118729137
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESCNC(=O)N(CCCN(C)C)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C16H23N5O/c1-17-16(22)21(10-4-9-20(2)3)15-7-5-13(6-8-15)14-11-18-19-12-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyJFEOXRGEOATFAC-UHFFFAOYSA-N
XLogP2.17
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Diethyl-5-(3-m-tolyl-1H-pyrazol-4-yl)-1,3-dihydro-benzoimidazol-2-one
CID 22063925
1,3-diethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581376
1,3-dimethyl-5-(3-phenyl-1H-pyrazol-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581414
1-(3-hydroxy-1-phenylpropyl)-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68562540
1,3-diethyl-5-[4-(3-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 10383002
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-1H-indazol-4-ylurea
CID 16749466
1,3-diethyl-5-(4-phenyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23647070
1-Benzyl-1-[3-(2H-pyrazol-3-yl)-benzyl]-3-(2,4,6-trifluoro-phenyl)-urea
CID 9954688
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 118729137) is 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea is CNC(=O)N(CCCN(C)C)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is JFEOXRGEOATFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-17-16(22)21(10-4-9-20(2)3)15-7-5-13(6-8-15)14-11-18-19-12-14/h5-8,11-12H,4,9-10H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 301.39 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-3-methyl-1-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 118729137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).