1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea

C16H26N4O2 — CID 164627349

IUPAC1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1ncc(NC(=O)NC[C@@H](CO)C2CC2)c1C1CC1
InChIInChI=1S/C16H26N4O2/c1-10(2)20-15(12-5-6-12)14(8-18-20)19-16(22)17-7-13(9-21)11-3-4-11/h8,10-13,21H,3-7,9H2,1-2H3,(H2,17,19,22)/t13-/m0/s1
InChIKeyZPISYLKIEQXSKK-ZDUSSCGKSA-N
MW306.41 g/mol
LogP2.48
Rot. Bonds7

About 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea

1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea (PubChem CID 164627349) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea
PubChem CID164627349
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea
SMILESCC(C)n1ncc(NC(=O)NC[C@@H](CO)C2CC2)c1C1CC1
InChIInChI=1S/C16H26N4O2/c1-10(2)20-15(12-5-6-12)14(8-18-20)19-16(22)17-7-13(9-21)11-3-4-11/h8,10-13,21H,3-7,9H2,1-2H3,(H2,17,19,22)/t13-/m0/s1
InChIKeyZPISYLKIEQXSKK-ZDUSSCGKSA-N
XLogP2.48
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea?
The IUPAC name of 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea (CID 164627349) is 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea.
What is the SMILES notation for 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea?
The canonical SMILES for 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea is CC(C)n1ncc(NC(=O)NC[C@@H](CO)C2CC2)c1C1CC1.
What is the InChIKey of 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea?
The InChIKey is ZPISYLKIEQXSKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-10(2)20-15(12-5-6-12)14(8-18-20)19-16(22)17-7-13(9-21)11-3-4-11/h8,10-13,21H,3-7,9H2,1-2H3,(H2,17,19,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea?
1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea has a molecular weight of 306.41 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-cyclopropyl-3-hydroxypropyl]-3-(5-cyclopropyl-1-propan-2-ylpyrazol-4-yl)urea is sourced from PubChem (CID 164627349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).