2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C20H21N5O2 — CID 2805552

IUPAC2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C20H21N5O2/c1-13-18(14(2)25(3)24-13)23-19(26)16-11-7-8-12-17(16)22-20(27)21-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,23,26)(H2,21,22,27)
InChIKeyWQDUJXDIGWKQKA-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.93
Rot. Bonds4

About 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 2805552) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID2805552
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1ccccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C20H21N5O2/c1-13-18(14(2)25(3)24-13)23-19(26)16-11-7-8-12-17(16)22-20(27)21-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,23,26)(H2,21,22,27)
InChIKeyWQDUJXDIGWKQKA-UHFFFAOYSA-N
XLogP3.93
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 2805552) is 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1ccccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is WQDUJXDIGWKQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-18(14(2)25(3)24-13)23-19(26)16-11-7-8-12-17(16)22-20(27)21-15-9-5-4-6-10-15/h4-12H,1-3H3,(H,23,26)(H2,21,22,27).
What are the key properties of 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 2805552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).