N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C18H23N5O2 — CID 39193239

IUPACN-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H23N5O2/c1-5-10-19-18(25)21-15-8-6-14(7-9-15)20-17(24)11-16-12(2)22-23(4)13(16)3/h5-9H,1,10-11H2,2-4H3,(H,20,24)(H2,19,21,25)
InChIKeyIDCIXMQMIPTMFO-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.53
Rot. Bonds6

About N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 39193239) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID39193239
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESC=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C18H23N5O2/c1-5-10-19-18(25)21-15-8-6-14(7-9-15)20-17(24)11-16-12(2)22-23(4)13(16)3/h5-9H,1,10-11H2,2-4H3,(H,20,24)(H2,19,21,25)
InChIKeyIDCIXMQMIPTMFO-UHFFFAOYSA-N
XLogP2.53
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46513607
2-methyl-3-[4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]phenyl]propanoic acid
CID 120541424
2-methyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119240253
N-[4-(1-adamantyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46560924
2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 87039150
2-chloro-4-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 119164233
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55841246
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55921211
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575

Frequently Asked Questions

What is the IUPAC name of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 39193239) is N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is C=CCNC(=O)Nc1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is IDCIXMQMIPTMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-10-19-18(25)21-15-8-6-14(7-9-15)20-17(24)11-16-12(2)22-23(4)13(16)3/h5-9H,1,10-11H2,2-4H3,(H,20,24)(H2,19,21,25).
What are the key properties of N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 341.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 39193239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).