1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

C17H21N5O2 — CID 164634489

IUPAC1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)cn1
InChIInChI=1S/C17H21N5O2/c1-11(2)22-10-12(8-19-22)20-17(24)18-9-15-13-6-4-5-7-14(13)16(23)21(15)3/h4-8,10-11,15H,9H2,1-3H3,(H2,18,20,24)/t15-/m0/s1
InChIKeyKZSCTYZGNHTHPG-HNNXBMFYSA-N
MW327.39 g/mol
LogP2.41
Rot. Bonds4

About 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea

1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 164634489) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
PubChem CID164634489
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1cc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)cn1
InChIInChI=1S/C17H21N5O2/c1-11(2)22-10-12(8-19-22)20-17(24)18-9-15-13-6-4-5-7-14(13)16(23)21(15)3/h4-8,10-11,15H,9H2,1-3H3,(H2,18,20,24)/t15-/m0/s1
InChIKeyKZSCTYZGNHTHPG-HNNXBMFYSA-N
XLogP2.41
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea (CID 164634489) is 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1cc(NC(=O)NC[C@H]2c3ccccc3C(=O)N2C)cn1.
What is the InChIKey of 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is KZSCTYZGNHTHPG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(2)22-10-12(8-19-22)20-17(24)18-9-15-13-6-4-5-7-14(13)16(23)21(15)3/h4-8,10-11,15H,9H2,1-3H3,(H2,18,20,24)/t15-/m0/s1.
What are the key properties of 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea?
1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 327.39 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R)-2-methyl-3-oxo-1H-isoindol-1-yl]methyl]-3-(1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 164634489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).