1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea

C18H26N4O3 — CID 125165565

IUPAC1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)NC[C@@H](CO)Cc1ccco1
InChIInChI=1S/C18H26N4O3/c1-13-10-20-22(15-5-2-3-6-15)17(13)21-18(24)19-11-14(12-23)9-16-7-4-8-25-16/h4,7-8,10,14-15,23H,2-3,5-6,9,11-12H2,1H3,(H2,19,21,24)/t14-/m0/s1
InChIKeyJMZGAWRYLNVOBU-AWEZNQCLSA-N
MW346.43 g/mol
LogP2.87
Rot. Bonds7

About 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea

1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea (PubChem CID 125165565) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea.

Molecular Properties

Compound Name1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
PubChem CID125165565
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
SMILESCc1cnn(C2CCCC2)c1NC(=O)NC[C@@H](CO)Cc1ccco1
InChIInChI=1S/C18H26N4O3/c1-13-10-20-22(15-5-2-3-6-15)17(13)21-18(24)19-11-14(12-23)9-16-7-4-8-25-16/h4,7-8,10,14-15,23H,2-3,5-6,9,11-12H2,1H3,(H2,19,21,24)/t14-/m0/s1
InChIKeyJMZGAWRYLNVOBU-AWEZNQCLSA-N
XLogP2.87
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea?
The IUPAC name of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea (CID 125165565) is 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea.
What is the SMILES notation for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea?
The canonical SMILES for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea is Cc1cnn(C2CCCC2)c1NC(=O)NC[C@@H](CO)Cc1ccco1.
What is the InChIKey of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea?
The InChIKey is JMZGAWRYLNVOBU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-10-20-22(15-5-2-3-6-15)17(13)21-18(24)19-11-14(12-23)9-16-7-4-8-25-16/h4,7-8,10,14-15,23H,2-3,5-6,9,11-12H2,1H3,(H2,19,21,24)/t14-/m0/s1.
What are the key properties of 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea?
1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea has a molecular weight of 346.43 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-4-methylpyrazol-5-yl)-3-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]urea is sourced from PubChem (CID 125165565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).