N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

C18H31N3O2 — CID 56787807

IUPACN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H31N3O2/c1-17(2,3)15-7-9-18(23,10-8-15)13-19-16(22)6-5-14-11-20-21(4)12-14/h11-12,15,23H,5-10,13H2,1-4H3,(H,19,22)
InChIKeyFZQZSTWEELGSKN-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.44
Rot. Bonds5

About N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 56787807) has the molecular formula C18H31N3O2 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID56787807
Molecular FormulaC18H31N3O2
Molecular Weight321.46 g/mol
Exact Mass321.24
IUPAC NameN-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1
InChIInChI=1S/C18H31N3O2/c1-17(2,3)15-7-9-18(23,10-8-15)13-19-16(22)6-5-14-11-20-21(4)12-14/h11-12,15,23H,5-10,13H2,1-4H3,(H,19,22)
InChIKeyFZQZSTWEELGSKN-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-cyclohexyl-2-[3-(1-methylpyrazol-4-yl)butanoylamino]ethyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 167764956
N-[(4-ethylcyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 51093610
N-{2-[(3,5-dimethyl-1-adamantyl)oxy]ethyl}-3-(1-methyl-1H-pyrazol-4-yl)propanamide
CID 74248555
N-[2-[[(3R,5S)-3,5-dimethyl-1-adamantyl]oxy]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 97939472
N-[2-[[(3S,5S)-3,5-dimethyl-1-adamantyl]oxy]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 98365788
N-[2-[[(3R,5R)-3,5-dimethyl-1-adamantyl]oxy]ethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 98365789
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-2-(1-ethylpyrazol-4-yl)-2-oxoacetamide
CID 109868136
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-(4-methoxycyclohexyl)acetamide
CID 109868822
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3,3,5-trimethylcyclohexane-1-carboxamide
CID 110021191
4-Tert-butyl-1-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 111114769
1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111115199
1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 111115207

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 56787807) is N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)NCC2(O)CCC(C(C)(C)C)CC2)cn1.
What is the InChIKey of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is FZQZSTWEELGSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-17(2,3)15-7-9-18(23,10-8-15)13-19-16(22)6-5-14-11-20-21(4)12-14/h11-12,15,23H,5-10,13H2,1-4H3,(H,19,22).
What are the key properties of N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 321.46 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1-hydroxycyclohexyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 56787807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).