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

C9H16N4O — CID 112729742

IUPAC1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCCN(CC)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-3-13(4-2)9(14)10-7-8-5-6-11-12-8/h5-6H,3-4,7H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyIYQNTZOGQNUNJV-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.96
Rot. Bonds4

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

1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea (PubChem CID 112729742) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
PubChem CID112729742
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea
SMILESCCN(CC)C(=O)NCc1ccn[nH]1
InChIInChI=1S/C9H16N4O/c1-3-13(4-2)9(14)10-7-8-5-6-11-12-8/h5-6H,3-4,7H2,1-2H3,(H,10,14)(H,11,12)
InChIKeyIYQNTZOGQNUNJV-UHFFFAOYSA-N
XLogP0.96
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(1H-pyrazol-5-ylmethyl)pentanamide
CID 114875503
1,1-diethyl-3-(1H-pyrazol-5-yl)urea
CID 79161873
3-oxo-3-(1H-pyrazol-5-ylmethylamino)propanoic acid
CID 62232296
1,1-diethyl-3-(1H-imidazol-5-ylmethyl)urea
CID 79161079
2-methyl-N-(1H-pyrazol-5-ylmethyl)pent-2-enamide
CID 61284125
N-ethyl-N-[[2-(1H-pyrazol-5-ylmethylamino)phenyl]methyl]acetamide
CID 71968112
2-[ethyl-[2-(1H-pyrazol-5-yl)acetyl]amino]acetic acid
CID 79139795
2,2-diethyl-4-oxo-4-(1H-pyrazol-5-ylmethylamino)butanoic acid
CID 61285483
3-chloro-2-methyl-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 62728534
2-bromo-3-methyl-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 61285500
1,1-diethyl-3-[(4-fluorophenyl)methyl]urea
CID 3851579
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 51084054

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea?
The IUPAC name of 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea (CID 112729742) is 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea.
What is the SMILES notation for 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea?
The canonical SMILES for 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea is CCN(CC)C(=O)NCc1ccn[nH]1.
What is the InChIKey of 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea?
The InChIKey is IYQNTZOGQNUNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-13(4-2)9(14)10-7-8-5-6-11-12-8/h5-6H,3-4,7H2,1-2H3,(H,10,14)(H,11,12).
What are the key properties of 1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea?
1,1-diethyl-3-(1H-pyrazol-5-ylmethyl)urea has a molecular weight of 196.25 g/mol, XLogP of 0.96, 4 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-ylmethyl)urea is sourced from PubChem (CID 112729742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).