N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide

C18H23N5O2 — CID 154775138

IUPACN-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1)C1CCCCC1
InChIInChI=1S/C18H23N5O2/c1-23(14-7-3-2-4-8-14)17(24)15-9-5-6-10-16(15)22-18(25)21-13-11-19-20-12-13/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20)(H2,21,22,25)
InChIKeyXCGWDQYRFUYOPS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.46
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide

N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide (PubChem CID 154775138) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
PubChem CID154775138
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide
SMILESCN(C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1)C1CCCCC1
InChIInChI=1S/C18H23N5O2/c1-23(14-7-3-2-4-8-14)17(24)15-9-5-6-10-16(15)22-18(25)21-13-11-19-20-12-13/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20)(H2,21,22,25)
InChIKeyXCGWDQYRFUYOPS-UHFFFAOYSA-N
XLogP3.46
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide (CID 154775138) is N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide is CN(C(=O)c1ccccc1NC(=O)Nc1cn[nH]c1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
The InChIKey is XCGWDQYRFUYOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-23(14-7-3-2-4-8-14)17(24)15-9-5-6-10-16(15)22-18(25)21-13-11-19-20-12-13/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,19,20)(H2,21,22,25).
What are the key properties of N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide?
N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide has a molecular weight of 341.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(1H-pyrazol-4-ylcarbamoylamino)benzamide is sourced from PubChem (CID 154775138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).