1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C18H19N5O2 — CID 75435277

IUPAC1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccnn1Cc1ccccn1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H19N5O2/c24-13-16(14-6-2-1-3-7-14)21-18(25)22-17-9-11-20-23(17)12-15-8-4-5-10-19-15/h1-11,16,24H,12-13H2,(H2,21,22,25)/t16-/m1/s1
InChIKeyGWNSPONYRPINKU-MRXNPFEDSA-N
MW337.38 g/mol
LogP2.18
Rot. Bonds6

About 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 75435277) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID75435277
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(Nc1ccnn1Cc1ccccn1)N[C@H](CO)c1ccccc1
InChIInChI=1S/C18H19N5O2/c24-13-16(14-6-2-1-3-7-14)21-18(25)22-17-9-11-20-23(17)12-15-8-4-5-10-19-15/h1-11,16,24H,12-13H2,(H2,21,22,25)/t16-/m1/s1
InChIKeyGWNSPONYRPINKU-MRXNPFEDSA-N
XLogP2.18
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 75435277) is 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is O=C(Nc1ccnn1Cc1ccccn1)N[C@H](CO)c1ccccc1.
What is the InChIKey of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is GWNSPONYRPINKU-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-13-16(14-6-2-1-3-7-14)21-18(25)22-17-9-11-20-23(17)12-15-8-4-5-10-19-15/h1-11,16,24H,12-13H2,(H2,21,22,25)/t16-/m1/s1.
What are the key properties of 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 337.38 g/mol, XLogP of 2.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2-hydroxy-1-phenylethyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 75435277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).