1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea

C15H21N5O3 — CID 47085454

IUPAC1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESCN(C)CC(O)COc1ccc(NC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C15H21N5O3/c1-20(2)9-13(21)10-23-14-5-3-11(4-6-14)18-15(22)19-12-7-16-17-8-12/h3-8,13,21H,9-10H2,1-2H3,(H,16,17)(H2,18,19,22)
InChIKeyZTHISJFHUZKZHJ-UHFFFAOYSA-N
MW319.37 g/mol
LogP1.36
Rot. Bonds7

About 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea

1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 47085454) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID47085454
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea
SMILESCN(C)CC(O)COc1ccc(NC(=O)Nc2cn[nH]c2)cc1
InChIInChI=1S/C15H21N5O3/c1-20(2)9-13(21)10-23-14-5-3-11(4-6-14)18-15(22)19-12-7-16-17-8-12/h3-8,13,21H,9-10H2,1-2H3,(H,16,17)(H2,18,19,22)
InChIKeyZTHISJFHUZKZHJ-UHFFFAOYSA-N
XLogP1.36
TPSA102.51 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 51.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(2R)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-pyridin-2-ylurea
CID 94818055
1-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 95045659
1-benzyl-3-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]urea
CID 94813696
4-chloro-N-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 71914612
1-[4-(1-hydroxyethyl)phenyl]-3-(1H-pyrazol-4-yl)urea
CID 61341794
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-[2-(1,2,4-triazol-1-ylmethyl)phenyl]urea
CID 146131702
1-(dimethylamino)-3-[4-(pyrimidin-2-ylamino)phenoxy]propan-2-ol
CID 158905883
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
(2R)-1-(4-aminophenoxy)-3-(dimethylamino)propan-2-ol
CID 51863667
1-(6-methoxynaphthalen-2-yl)-3-(1H-pyrazol-4-yl)urea
CID 166194501
4-anilino-2-[4-[3-(dimethylamino)-2-hydroxypropoxy]anilino]pyrimidine-5-carboxylic acid
CID 18186473
1-(dimethylamino)-3-[4-[(4-ethylphenyl)methylamino]phenoxy]propan-2-ol
CID 111336525

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea (CID 47085454) is 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea is CN(C)CC(O)COc1ccc(NC(=O)Nc2cn[nH]c2)cc1.
What is the InChIKey of 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is ZTHISJFHUZKZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-20(2)9-13(21)10-23-14-5-3-11(4-6-14)18-15(22)19-12-7-16-17-8-12/h3-8,13,21H,9-10H2,1-2H3,(H,16,17)(H2,18,19,22).
What are the key properties of 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea?
1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 319.37 g/mol, XLogP of 1.36, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 47085454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).