2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide

C16H21N5O2 — CID 86988542

IUPAC2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C16H21N5O2/c1-4-17-15(22)10-18-16(23)19-13-7-5-6-8-14(13)21-12(3)9-11(2)20-21/h5-9H,4,10H2,1-3H3,(H,17,22)(H2,18,19,23)
InChIKeyTYQAKHCOUFOVAY-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.75
Rot. Bonds5

About 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide

2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide (PubChem CID 86988542) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
PubChem CID86988542
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
SMILESCCNC(=O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C
InChIInChI=1S/C16H21N5O2/c1-4-17-15(22)10-18-16(23)19-13-7-5-6-8-14(13)21-12(3)9-11(2)20-21/h5-9H,4,10H2,1-3H3,(H,17,22)(H2,18,19,23)
InChIKeyTYQAKHCOUFOVAY-UHFFFAOYSA-N
XLogP1.75
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[(2R)-2-hydroxypentyl]urea
CID 95630447
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(3-hydroxybutyl)urea
CID 111336833
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
CID 43074025
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(prop-2-enoylamino)propanamide
CID 71912633
1-(2-ethylphenyl)-3,5-dimethylpyrazole
CID 39240354
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
CID 97004143
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]urea
CID 167942897
3-[[benzyl(methyl)carbamoyl]amino]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 56516138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide (CID 86988542) is 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide is CCNC(=O)CNC(=O)Nc1ccccc1-n1nc(C)cc1C.
What is the InChIKey of 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide?
The InChIKey is TYQAKHCOUFOVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-17-15(22)10-18-16(23)19-13-7-5-6-8-14(13)21-12(3)9-11(2)20-21/h5-9H,4,10H2,1-3H3,(H,17,22)(H2,18,19,23).
What are the key properties of 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide?
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide has a molecular weight of 315.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide is sourced from PubChem (CID 86988542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).