N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine

C19H28N4O3S — CID 119110991

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
SMILESCOc1c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)c(C)nn1C
InChIInChI=1S/C19H28N4O3S/c1-15-17(19(26-3)22(2)21-15)14-20-13-16-9-5-6-10-18(16)27(24,25)23-11-7-4-8-12-23/h5-6,9-10,20H,4,7-8,11-14H2,1-3H3
InChIKeyPZPCTBIPUSNMGS-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.20
Rot. Bonds7

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine (PubChem CID 119110991) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
PubChem CID119110991
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
SMILESCOc1c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)c(C)nn1C
InChIInChI=1S/C19H28N4O3S/c1-15-17(19(26-3)22(2)21-15)14-20-13-16-9-5-6-10-18(16)27(24,25)23-11-7-4-8-12-23/h5-6,9-10,20H,4,7-8,11-14H2,1-3H3
InChIKeyPZPCTBIPUSNMGS-UHFFFAOYSA-N
XLogP2.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine 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-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine
CID 119109932
6-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133481721
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[4-(methylsulfonylmethyl)phenyl]methanamine
CID 51105163
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-piperidin-1-yl-3-pyridinyl)methanamine
CID 51105107
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylaniline
CID 115884025
1-(2-ethylphenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
CID 51105415
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylaniline
CID 115884163
1-(1-benzothiophen-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]methanamine
CID 51105302
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(4-nitrophenyl)methanamine
CID 115600780

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine (CID 119110991) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine is COc1c(CNCc2ccccc2S(=O)(=O)N2CCCCC2)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
The InChIKey is PZPCTBIPUSNMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-15-17(19(26-3)22(2)21-15)14-20-13-16-9-5-6-10-18(16)27(24,25)23-11-7-4-8-12-23/h5-6,9-10,20H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine has a molecular weight of 392.53 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-ylsulfonylphenyl)methanamine is sourced from PubChem (CID 119110991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).