1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea

C16H23N5O3 — CID 95330365

IUPAC1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cnn(C[C@@H](O)CN(C)C)c1
InChIInChI=1S/C16H23N5O3/c1-20(2)10-13(22)11-21-9-12(8-17-21)18-16(23)19-14-6-4-5-7-15(14)24-3/h4-9,13,22H,10-11H2,1-3H3,(H2,18,19,23)/t13-/m0/s1
InChIKeyQXFGSEZUWZGZEM-ZDUSSCGKSA-N
MW333.39 g/mol
LogP1.46
Rot. Bonds7

About 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea

1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea (PubChem CID 95330365) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
PubChem CID95330365
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)Nc1cnn(C[C@@H](O)CN(C)C)c1
InChIInChI=1S/C16H23N5O3/c1-20(2)10-13(22)11-21-9-12(8-17-21)18-16(23)19-14-6-4-5-7-15(14)24-3/h4-9,13,22H,10-11H2,1-3H3,(H2,18,19,23)/t13-/m0/s1
InChIKeyQXFGSEZUWZGZEM-ZDUSSCGKSA-N
XLogP1.46
TPSA91.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea
CID 95615911
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
CID 111430926
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(4-fluoro-3-methylphenyl)urea
CID 111431651
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3-fluoro-4-methylphenyl)urea
CID 111431072
1-(2-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)phenyl]urea
CID 72547993
1-(2-methoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 71799842
1-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]-3-(2-methylphenyl)urea
CID 17284912
CID 168763596
CID 168763596
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357
3-[1-(2-methoxyethyl)pyrazol-4-yl]-1-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 94031893
1-(5-bromo-3-pyridinyl)-3-(2-methoxyphenyl)urea
CID 113338786
1-(1-ethylpyrazol-4-yl)-3-[2-(1-propan-2-yltetrazol-5-yl)phenyl]urea
CID 75477180

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea (CID 95330365) is 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)Nc1cnn(C[C@@H](O)CN(C)C)c1.
What is the InChIKey of 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is QXFGSEZUWZGZEM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-20(2)10-13(22)11-21-9-12(8-17-21)18-16(23)19-14-6-4-5-7-15(14)24-3/h4-9,13,22H,10-11H2,1-3H3,(H2,18,19,23)/t13-/m0/s1.
What are the key properties of 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea?
1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 333.39 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 95330365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).