N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide

C22H30N4O3 — CID 650559

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C22H30N4O3/c1-16(2)26-14-17(13-23-26)22(28)25(19-11-7-8-12-20(19)29-3)15-21(27)24-18-9-5-4-6-10-18/h7-8,11-14,16,18H,4-6,9-10,15H2,1-3H3,(H,24,27)
InChIKeyYPJVGZSUMGNWBX-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 650559) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID650559
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cnn(C(C)C)c1
InChIInChI=1S/C22H30N4O3/c1-16(2)26-14-17(13-23-26)22(28)25(19-11-7-8-12-20(19)29-3)15-21(27)24-18-9-5-4-6-10-18/h7-8,11-14,16,18H,4-6,9-10,15H2,1-3H3,(H,24,27)
InChIKeyYPJVGZSUMGNWBX-UHFFFAOYSA-N
XLogP3.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide (CID 650559) is N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide is COc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)c1cnn(C(C)C)c1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is YPJVGZSUMGNWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-16(2)26-14-17(13-23-26)22(28)25(19-11-7-8-12-20(19)29-3)15-21(27)24-18-9-5-4-6-10-18/h7-8,11-14,16,18H,4-6,9-10,15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-N-(2-methoxyphenyl)-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 650559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).