3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea

C9H13N5O — CID 79503578

IUPAC3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H13N5O/c1-3-14(4-2)9(15)12-8-7(5-10)6-11-13-8/h6H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyLATAYHCDBICYPV-UHFFFAOYSA-N
MW207.24 g/mol
LogP1.16
Rot. Bonds3

About 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea

3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea (PubChem CID 79503578) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea.

Molecular Properties

Compound Name3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea
PubChem CID79503578
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea
SMILESCCN(CC)C(=O)Nc1[nH]ncc1C#N
InChIInChI=1S/C9H13N5O/c1-3-14(4-2)9(15)12-8-7(5-10)6-11-13-8/h6H,3-4H2,1-2H3,(H2,11,12,13,15)
InChIKeyLATAYHCDBICYPV-UHFFFAOYSA-N
XLogP1.16
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)-3-oxobutanamide
CID 110470623
1-butyl-3-(4-cyano-1H-pyrazol-5-yl)urea
CID 79503092
4-butyl-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 171984736
N-(4-cyano-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001533
2-methylpropyl N-(4-cyano-1H-pyrazol-5-yl)carbamate
CID 79504414
N-(4-cyano-1H-pyrazol-5-yl)-3-methylimidazole-4-carboxamide
CID 103510956
3-bromo-N-(4-cyano-1H-pyrazol-5-yl)-5-methylbenzamide
CID 104851534
N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670334
3-[3-[acetyl(ethyl)amino]phenyl]-N-(4-cyano-1H-pyrazol-5-yl)-3-oxopropanamide
CID 169436964
N-(4-cyano-1H-pyrazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 79503954
N-(4-cyano-1H-pyrazol-5-yl)-4-propan-2-ylbenzamide
CID 78913840
4-bromo-N-(4-cyano-1H-pyrazol-5-yl)benzamide
CID 78913823

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea?
The IUPAC name of 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea (CID 79503578) is 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea.
What is the SMILES notation for 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea?
The canonical SMILES for 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea is CCN(CC)C(=O)Nc1[nH]ncc1C#N.
What is the InChIKey of 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea?
The InChIKey is LATAYHCDBICYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-3-14(4-2)9(15)12-8-7(5-10)6-11-13-8/h6H,3-4H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea?
3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea has a molecular weight of 207.24 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyano-1H-pyrazol-5-yl)-1,1-diethylurea is sourced from PubChem (CID 79503578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).