1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

C17H19N5O3 — CID 97328710

IUPAC1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESC[C@](O)(CNC(=O)Nc1ccnn1Cc1ccccn1)c1ccco1
InChIInChI=1S/C17H19N5O3/c1-17(24,14-6-4-10-25-14)12-19-16(23)21-15-7-9-20-22(15)11-13-5-2-3-8-18-13/h2-10,24H,11-12H2,1H3,(H2,19,21,23)/t17-/m0/s1
InChIKeyMWNBDCDGWTVRIG-KRWDZBQOSA-N
MW341.37 g/mol
LogP1.95
Rot. Bonds6

About 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea

1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (PubChem CID 97328710) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
PubChem CID97328710
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea
SMILESC[C@](O)(CNC(=O)Nc1ccnn1Cc1ccccn1)c1ccco1
InChIInChI=1S/C17H19N5O3/c1-17(24,14-6-4-10-25-14)12-19-16(23)21-15-7-9-20-22(15)11-13-5-2-3-8-18-13/h2-10,24H,11-12H2,1H3,(H2,19,21,23)/t17-/m0/s1
InChIKeyMWNBDCDGWTVRIG-KRWDZBQOSA-N
XLogP1.95
TPSA105.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea (CID 97328710) is 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is C[C@](O)(CNC(=O)Nc1ccnn1Cc1ccccn1)c1ccco1.
What is the InChIKey of 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is MWNBDCDGWTVRIG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-17(24,14-6-4-10-25-14)12-19-16(23)21-15-7-9-20-22(15)11-13-5-2-3-8-18-13/h2-10,24H,11-12H2,1H3,(H2,19,21,23)/t17-/m0/s1.
What are the key properties of 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea?
1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 341.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 97328710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).