1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

C13H19N5O2 — CID 51083524

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCN(C)C(CNC(=O)NCc1ccn[nH]1)c1ccco1
InChIInChI=1S/C13H19N5O2/c1-18(2)11(12-4-3-7-20-12)9-15-13(19)14-8-10-5-6-16-17-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)(H2,14,15,19)
InChIKeyFKLQYRHXVUHSAV-UHFFFAOYSA-N
MW277.33 g/mol
LogP1.10
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 51083524) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID51083524
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCN(C)C(CNC(=O)NCc1ccn[nH]1)c1ccco1
InChIInChI=1S/C13H19N5O2/c1-18(2)11(12-4-3-7-20-12)9-15-13(19)14-8-10-5-6-16-17-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)(H2,14,15,19)
InChIKeyFKLQYRHXVUHSAV-UHFFFAOYSA-N
XLogP1.10
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea (CID 51083524) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is CN(C)C(CNC(=O)NCc1ccn[nH]1)c1ccco1.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is FKLQYRHXVUHSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-18(2)11(12-4-3-7-20-12)9-15-13(19)14-8-10-5-6-16-17-10/h3-7,11H,8-9H2,1-2H3,(H,16,17)(H2,14,15,19).
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 277.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(1H-pyrazol-5-ylmethyl)urea is sourced from PubChem (CID 51083524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).