N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride

C19H27ClN4O2 — CID 119751324

IUPACN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C)c(CN(C)C(=O)C2CNCCO2)c1C.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13-7-5-6-8-17(13)23-15(3)16(14(2)21-23)12-22(4)19(24)18-11-20-9-10-25-18;/h5-8,18,20H,9-12H2,1-4H3;1H
InChIKeyVELUBMCBIZKSES-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.17
Rot. Bonds4

About N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride

N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride (PubChem CID 119751324) has the molecular formula C19H27ClN4O2 and a molecular weight of 378.90 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
PubChem CID119751324
Molecular FormulaC19H27ClN4O2
Molecular Weight378.90 g/mol
Exact Mass378.18
IUPAC NameN-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
SMILESCc1ccccc1-n1nc(C)c(CN(C)C(=O)C2CNCCO2)c1C.Cl
InChIInChI=1S/C19H26N4O2.ClH/c1-13-7-5-6-8-17(13)23-15(3)16(14(2)21-23)12-22(4)19(24)18-11-20-9-10-25-18;/h5-8,18,20H,9-12H2,1-4H3;1H
InChIKeyVELUBMCBIZKSES-UHFFFAOYSA-N
XLogP2.17
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methyl-1,4-dioxane-2-carboxamide
CID 94616250
(2R,3S)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120928000
9-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120987257
N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]morpholine-2-carboxamide;dihydrochloride
CID 119836475
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
(2S)-2-amino-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylpropanamide
CID 119304736
N-[(2-bromophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119681071
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119683309
2-(3,4-dichlorophenyl)-N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylacetamide
CID 60574619
(2R)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124557647
N-[(4-methoxy-3-methylphenyl)methyl]-N-methylmorpholine-2-carboxamide
CID 119766949
N-[(2,3-dichlorophenyl)methyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119682474

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride (CID 119751324) is N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride is Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C2CNCCO2)c1C.Cl.
What is the InChIKey of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is VELUBMCBIZKSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2.ClH/c1-13-7-5-6-8-17(13)23-15(3)16(14(2)21-23)12-22(4)19(24)18-11-20-9-10-25-18;/h5-8,18,20H,9-12H2,1-4H3;1H.
What are the key properties of N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride?
N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-N-methylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119751324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).