N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide

C19H34N4O2 — CID 98129361

IUPACN-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
SMILESCNCc1cc(C2CCC(CN(C)C(=O)COC(C)C)CC2)nn1C
InChIInChI=1S/C19H34N4O2/c1-14(2)25-13-19(24)22(4)12-15-6-8-16(9-7-15)18-10-17(11-20-3)23(5)21-18/h10,14-16,20H,6-9,11-13H2,1-5H3
InChIKeySSHGQGQRZQAPBY-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.30
Rot. Bonds8

About N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide

N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide (PubChem CID 98129361) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
PubChem CID98129361
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC NameN-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide
SMILESCNCc1cc(C2CCC(CN(C)C(=O)COC(C)C)CC2)nn1C
InChIInChI=1S/C19H34N4O2/c1-14(2)25-13-19(24)22(4)12-15-6-8-16(9-7-15)18-10-17(11-20-3)23(5)21-18/h10,14-16,20H,6-9,11-13H2,1-5H3
InChIKeySSHGQGQRZQAPBY-UHFFFAOYSA-N
XLogP2.30
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide?
The IUPAC name of N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide (CID 98129361) is N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide?
The canonical SMILES for N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide is CNCc1cc(C2CCC(CN(C)C(=O)COC(C)C)CC2)nn1C.
What is the InChIKey of N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide?
The InChIKey is SSHGQGQRZQAPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-14(2)25-13-19(24)22(4)12-15-6-8-16(9-7-15)18-10-17(11-20-3)23(5)21-18/h10,14-16,20H,6-9,11-13H2,1-5H3.
What are the key properties of N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide?
N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide has a molecular weight of 350.51 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[1-methyl-5-(methylaminomethyl)pyrazol-3-yl]cyclohexyl]methyl]-2-propan-2-yloxyacetamide is sourced from PubChem (CID 98129361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).