1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea

C13H21N5O2 — CID 118777276

IUPAC1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea
SMILESCCCCn1nc(C)cc1NC(=O)NC1CCNC1=O
InChIInChI=1S/C13H21N5O2/c1-3-4-7-18-11(8-9(2)17-18)16-13(20)15-10-5-6-14-12(10)19/h8,10H,3-7H2,1-2H3,(H,14,19)(H2,15,16,20)
InChIKeyMHENDRLUBONIRJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.00
Rot. Bonds5

About 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea

1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea (PubChem CID 118777276) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea
PubChem CID118777276
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea
SMILESCCCCn1nc(C)cc1NC(=O)NC1CCNC1=O
InChIInChI=1S/C13H21N5O2/c1-3-4-7-18-11(8-9(2)17-18)16-13(20)15-10-5-6-14-12(10)19/h8,10H,3-7H2,1-2H3,(H,14,19)(H2,15,16,20)
InChIKeyMHENDRLUBONIRJ-UHFFFAOYSA-N
XLogP1.00
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea?
The IUPAC name of 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea (CID 118777276) is 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea.
What is the SMILES notation for 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea?
The canonical SMILES for 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea is CCCCn1nc(C)cc1NC(=O)NC1CCNC1=O.
What is the InChIKey of 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea?
The InChIKey is MHENDRLUBONIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-4-7-18-11(8-9(2)17-18)16-13(20)15-10-5-6-14-12(10)19/h8,10H,3-7H2,1-2H3,(H,14,19)(H2,15,16,20).
What are the key properties of 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea?
1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea has a molecular weight of 279.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyl-5-methylpyrazol-3-yl)-3-(2-oxopyrrolidin-3-yl)urea is sourced from PubChem (CID 118777276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).