1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea

C10H18N4O — CID 53017230

IUPAC1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)NC(C)C)n1
InChIInChI=1S/C10H18N4O/c1-4-6-14-7-5-9(13-14)12-10(15)11-8(2)3/h5,7-8H,4,6H2,1-3H3,(H2,11,12,13,15)
InChIKeyTUAKUNXAPSAHBL-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.82
Rot. Bonds4

About 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea

1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea (PubChem CID 53017230) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea
PubChem CID53017230
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)NC(C)C)n1
InChIInChI=1S/C10H18N4O/c1-4-6-14-7-5-9(13-14)12-10(15)11-8(2)3/h5,7-8H,4,6H2,1-3H3,(H2,11,12,13,15)
InChIKeyTUAKUNXAPSAHBL-UHFFFAOYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea?
The IUPAC name of 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea (CID 53017230) is 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea is CCCn1ccc(NC(=O)NC(C)C)n1.
What is the InChIKey of 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea?
The InChIKey is TUAKUNXAPSAHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-6-14-7-5-9(13-14)12-10(15)11-8(2)3/h5,7-8H,4,6H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea?
1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea has a molecular weight of 210.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(1-propylpyrazol-3-yl)urea is sourced from PubChem (CID 53017230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).