N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide

C17H30N4O — CID 86802036

IUPACN-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cnn(CCC(C)C)c2C)CC1
InChIInChI=1S/C17H30N4O/c1-12(2)9-10-21-13(3)17(11-18-21)20-16-7-5-15(6-8-16)19-14(4)22/h11-12,15-16,20H,5-10H2,1-4H3,(H,19,22)
InChIKeyDHDOYQBAKQFPFW-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.10
Rot. Bonds6

About N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide

N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide (PubChem CID 86802036) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide
PubChem CID86802036
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(Nc2cnn(CCC(C)C)c2C)CC1
InChIInChI=1S/C17H30N4O/c1-12(2)9-10-21-13(3)17(11-18-21)20-16-7-5-15(6-8-16)19-14(4)22/h11-12,15-16,20H,5-10H2,1-4H3,(H,19,22)
InChIKeyDHDOYQBAKQFPFW-UHFFFAOYSA-N
XLogP3.10
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide (CID 86802036) is N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide is CC(=O)NC1CCC(Nc2cnn(CCC(C)C)c2C)CC1.
What is the InChIKey of N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide?
The InChIKey is DHDOYQBAKQFPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)9-10-21-13(3)17(11-18-21)20-16-7-5-15(6-8-16)19-14(4)22/h11-12,15-16,20H,5-10H2,1-4H3,(H,19,22).
What are the key properties of N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide?
N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]amino]cyclohexyl]acetamide is sourced from PubChem (CID 86802036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).