1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea

C17H25N5O2 — CID 111430926

IUPAC1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cnn(CC(O)CN(C)C)c2)cc1C
InChIInChI=1S/C17H25N5O2/c1-12-5-6-14(7-13(12)2)19-17(24)20-15-8-18-22(9-15)11-16(23)10-21(3)4/h5-9,16,23H,10-11H2,1-4H3,(H2,19,20,24)
InChIKeyLIYIRQJEJRJYNV-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.07
Rot. Bonds6

About 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea

1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea (PubChem CID 111430926) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea.

Molecular Properties

Compound Name1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
PubChem CID111430926
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cnn(CC(O)CN(C)C)c2)cc1C
InChIInChI=1S/C17H25N5O2/c1-12-5-6-14(7-13(12)2)19-17(24)20-15-8-18-22(9-15)11-16(23)10-21(3)4/h5-9,16,23H,10-11H2,1-4H3,(H2,19,20,24)
InChIKeyLIYIRQJEJRJYNV-UHFFFAOYSA-N
XLogP2.07
TPSA82.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2,5-dimethylphenyl)urea
CID 111430893
1-[1-[(2S)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-methoxyphenyl)urea
CID 95330365
1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea
CID 95615911
N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]naphthalene-1-carboxamide
CID 167960825
1-[4-(dimethylamino)-3-methylphenyl]-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111694
6-chloro-N-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-1H-indole-2-carboxamide
CID 75398258
1-(3-bromo-4-methylphenyl)-3-[1-(2-hydroxyethyl)pyrazol-4-yl]urea
CID 111111691
1-(3,4-dimethylphenyl)-3-(2-methylphenyl)urea
CID 19165586
1-[4-(dimethylamino)phenyl]-3-(3,4-dimethylphenyl)urea
CID 5096263
1-(2-chloroethyl)-3-(3,4-dimethylphenyl)urea
CID 10105129

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea?
The IUPAC name of 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea (CID 111430926) is 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea.
What is the SMILES notation for 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea?
The canonical SMILES for 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea is Cc1ccc(NC(=O)Nc2cnn(CC(O)CN(C)C)c2)cc1C.
What is the InChIKey of 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea?
The InChIKey is LIYIRQJEJRJYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-12-5-6-14(7-13(12)2)19-17(24)20-15-8-18-22(9-15)11-16(23)10-21(3)4/h5-9,16,23H,10-11H2,1-4H3,(H2,19,20,24).
What are the key properties of 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea?
1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea has a molecular weight of 331.42 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(3,4-dimethylphenyl)urea is sourced from PubChem (CID 111430926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).