1,1-diethyl-3-(1H-pyrazol-5-yl)urea

C8H14N4O — CID 79161873

IUPAC1,1-diethyl-3-(1H-pyrazol-5-yl)urea
SMILESCCN(CC)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H14N4O/c1-3-12(4-2)8(13)10-7-5-6-9-11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyDYEMTNJTNAPUDI-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.28
Rot. Bonds3

About 1,1-diethyl-3-(1H-pyrazol-5-yl)urea

1,1-diethyl-3-(1H-pyrazol-5-yl)urea (PubChem CID 79161873) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1,1-diethyl-3-(1H-pyrazol-5-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1H-pyrazol-5-yl)urea
PubChem CID79161873
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1,1-diethyl-3-(1H-pyrazol-5-yl)urea
SMILESCCN(CC)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C8H14N4O/c1-3-12(4-2)8(13)10-7-5-6-9-11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyDYEMTNJTNAPUDI-UHFFFAOYSA-N
XLogP1.28
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
CID 112729742
2-methylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393731
3-(ethylamino)-N-(1H-pyrazol-5-yl)propanamide
CID 62834246
6-(diethylamino)-N-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 71934785
2,2-dichloro-N-(1H-pyrazol-5-yl)propanamide
CID 126995468
3-chloro-N-(1H-pyrazol-5-yl)propanamide
CID 61394394
1,3-diethyl-N-(1H-pyrazol-5-yl)pyrazole-5-carboxamide
CID 66120821
2-ethyl-N-(1H-pyrazol-5-yl)hexanamide
CID 61393178
3-oxo-N-(1H-pyrazol-5-yl)nonanamide
CID 10130928
4-[(dimethylamino)methyl]-N-(1H-pyrazol-5-yl)benzamide
CID 61393919
3-methylsulfinyl-N-(1H-pyrazol-5-yl)propanamide
CID 130652327
2-tert-butylsulfanyl-N-(1H-pyrazol-5-yl)acetamide
CID 61393876

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1H-pyrazol-5-yl)urea?
The IUPAC name of 1,1-diethyl-3-(1H-pyrazol-5-yl)urea (CID 79161873) is 1,1-diethyl-3-(1H-pyrazol-5-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1H-pyrazol-5-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(1H-pyrazol-5-yl)urea is CCN(CC)C(=O)Nc1ccn[nH]1.
What is the InChIKey of 1,1-diethyl-3-(1H-pyrazol-5-yl)urea?
The InChIKey is DYEMTNJTNAPUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-12(4-2)8(13)10-7-5-6-9-11-7/h5-6H,3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 1,1-diethyl-3-(1H-pyrazol-5-yl)urea?
1,1-diethyl-3-(1H-pyrazol-5-yl)urea has a molecular weight of 182.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(1H-pyrazol-5-yl)urea is sourced from PubChem (CID 79161873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).