1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

C17H22N4O2 — CID 174752138

IUPAC1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN2CCOCC2)ccc1Cn1cc(C(N)=O)cn1
InChIInChI=1S/C17H22N4O2/c1-13-8-14(10-20-4-6-23-7-5-20)2-3-15(13)11-21-12-16(9-19-21)17(18)22/h2-3,8-9,12H,4-7,10-11H2,1H3,(H2,18,22)
InChIKeyGPKBXGCOPLGDGX-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.17
Rot. Bonds5

About 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 174752138) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID174752138
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
SMILESCc1cc(CN2CCOCC2)ccc1Cn1cc(C(N)=O)cn1
InChIInChI=1S/C17H22N4O2/c1-13-8-14(10-20-4-6-23-7-5-20)2-3-15(13)11-21-12-16(9-19-21)17(18)22/h2-3,8-9,12H,4-7,10-11H2,1H3,(H2,18,22)
InChIKeyGPKBXGCOPLGDGX-UHFFFAOYSA-N
XLogP1.17
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide 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

1-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylphenyl]methyl]pyrazole-4-carboxamide
CID 174752216
4-[(4-ethyl-3-methylphenyl)methyl]morpholine
CID 71052307
5-[(4-carbamoylpyrazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid
CID 65295105
1-[[4-(cyanomethoxy)-2-methylphenyl]methyl]pyrazole-4-carboxamide
CID 174751825
4-methyl-6-[3-[4-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carboxamide
CID 146130567
1-[[3-methyl-4-[(2-oxo-3-azabicyclo[3.1.0]hex-1(6)-en-3-yl)methyl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 166718894
4-[(4-iodopyrazol-1-yl)methyl]-3-methylbenzoic acid
CID 114485641
1-[(4-fluorophenyl)methyl]pyrazole-4-carboxamide
CID 145294520
(2,4-dimethylphenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724237
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
1-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 141321250
1-benzyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 131931531

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide (CID 174752138) is 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is Cc1cc(CN2CCOCC2)ccc1Cn1cc(C(N)=O)cn1.
What is the InChIKey of 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is GPKBXGCOPLGDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-8-14(10-20-4-6-23-7-5-20)2-3-15(13)11-21-12-16(9-19-21)17(18)22/h2-3,8-9,12H,4-7,10-11H2,1H3,(H2,18,22).
What are the key properties of 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide?
1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-4-(morpholin-4-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 174752138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).