N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

C21H32N6O2 — CID 60504017

IUPACN-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)Nc3ccnn3CC3CCCCC3)CC2)no1
InChIInChI=1S/C21H32N6O2/c1-17-13-19(24-29-17)15-25-9-11-26(12-10-25)16-21(28)23-20-7-8-22-27(20)14-18-5-3-2-4-6-18/h7-8,13,18H,2-6,9-12,14-16H2,1H3,(H,23,28)
InChIKeyBYFUZIVUMNNDFL-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 60504017) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID60504017
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC NameN-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)Nc3ccnn3CC3CCCCC3)CC2)no1
InChIInChI=1S/C21H32N6O2/c1-17-13-19(24-29-17)15-25-9-11-26(12-10-25)16-21(28)23-20-7-8-22-27(20)14-18-5-3-2-4-6-18/h7-8,13,18H,2-6,9-12,14-16H2,1H3,(H,23,28)
InChIKeyBYFUZIVUMNNDFL-UHFFFAOYSA-N
XLogP2.52
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (CID 60504017) is N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(CN2CCN(CC(=O)Nc3ccnn3CC3CCCCC3)CC2)no1.
What is the InChIKey of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is BYFUZIVUMNNDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-17-13-19(24-29-17)15-25-9-11-26(12-10-25)16-21(28)23-20-7-8-22-27(20)14-18-5-3-2-4-6-18/h7-8,13,18H,2-6,9-12,14-16H2,1H3,(H,23,28).
What are the key properties of N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 400.53 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 60504017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).