1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea

C16H24N6O3 — CID 95615911

IUPAC1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea
SMILESCCOc1ncccc1NC(=O)Nc1cnn(C[C@H](O)CN(C)C)c1
InChIInChI=1S/C16H24N6O3/c1-4-25-15-14(6-5-7-17-15)20-16(24)19-12-8-18-22(9-12)11-13(23)10-21(2)3/h5-9,13,23H,4,10-11H2,1-3H3,(H2,19,20,24)/t13-/m1/s1
InChIKeyVKRTUWGUEORLLH-CYBMUJFWSA-N
MW348.41 g/mol
LogP1.24
Rot. Bonds8

About 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea

1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea (PubChem CID 95615911) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea
PubChem CID95615911
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea
SMILESCCOc1ncccc1NC(=O)Nc1cnn(C[C@H](O)CN(C)C)c1
InChIInChI=1S/C16H24N6O3/c1-4-25-15-14(6-5-7-17-15)20-16(24)19-12-8-18-22(9-12)11-13(23)10-21(2)3/h5-9,13,23H,4,10-11H2,1-3H3,(H2,19,20,24)/t13-/m1/s1
InChIKeyVKRTUWGUEORLLH-CYBMUJFWSA-N
XLogP1.24
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea?
The IUPAC name of 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea (CID 95615911) is 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea?
The canonical SMILES for 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea is CCOc1ncccc1NC(=O)Nc1cnn(C[C@H](O)CN(C)C)c1.
What is the InChIKey of 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea?
The InChIKey is VKRTUWGUEORLLH-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-4-25-15-14(6-5-7-17-15)20-16(24)19-12-8-18-22(9-12)11-13(23)10-21(2)3/h5-9,13,23H,4,10-11H2,1-3H3,(H2,19,20,24)/t13-/m1/s1.
What are the key properties of 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea?
1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea has a molecular weight of 348.41 g/mol, XLogP of 1.24, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2R)-3-(dimethylamino)-2-hydroxypropyl]pyrazol-4-yl]-3-(2-ethoxy-3-pyridinyl)urea is sourced from PubChem (CID 95615911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).