3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea

C16H21ClN4O — CID 118782620

IUPAC3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea
SMILESCCN(CCn1cccn1)C(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H21ClN4O/c1-4-20(8-9-21-7-5-6-18-21)16(22)19-15-13(3)10-12(2)11-14(15)17/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,22)
InChIKeyRCDPKYFVQAJOIT-UHFFFAOYSA-N
MW320.82 g/mol
LogP3.71
Rot. Bonds5

About 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea

3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea (PubChem CID 118782620) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea
PubChem CID118782620
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC Name3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea
SMILESCCN(CCn1cccn1)C(=O)Nc1c(C)cc(C)cc1Cl
InChIInChI=1S/C16H21ClN4O/c1-4-20(8-9-21-7-5-6-18-21)16(22)19-15-13(3)10-12(2)11-14(15)17/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,22)
InChIKeyRCDPKYFVQAJOIT-UHFFFAOYSA-N
XLogP3.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-3-[methyl(3-pyrazol-1-ylpropyl)amino]propanamide
CID 91838587
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576
1-ethyl-3-(1-methyltriazol-4-yl)-1-(2-pyrazol-1-ylethyl)urea
CID 72935395
2-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 61183574
N-(2-chloro-4,6-dimethylphenyl)-2-(1-ethylimidazol-2-yl)sulfanylacetamide
CID 42255415
1-N-(2-chloro-4,6-dimethylphenyl)-3-N,3-N-diethylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109071010
1,1-diethyl-3-(2-pyrazol-1-ylethyl)urea
CID 115629319
3-[(4-bromo-2,6-dimethylphenyl)carbamoyl-ethylamino]propanoic acid
CID 61192110
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 56865921
2-[carboxymethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]acetic acid
CID 63644567
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853366

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea (CID 118782620) is 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea is CCN(CCn1cccn1)C(=O)Nc1c(C)cc(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea?
The InChIKey is RCDPKYFVQAJOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-4-20(8-9-21-7-5-6-18-21)16(22)19-15-13(3)10-12(2)11-14(15)17/h5-7,10-11H,4,8-9H2,1-3H3,(H,19,22).
What are the key properties of 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea?
3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea has a molecular weight of 320.82 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4,6-dimethylphenyl)-1-ethyl-1-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 118782620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).