N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride

C18H25ClN4O2 — CID 119694438

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13-16(10-20-18(23)17-11-19-8-9-24-17)14(2)22(21-13)12-15-6-4-3-5-7-15;/h3-7,17,19H,8-12H2,1-2H3,(H,20,23);1H
InChIKeyJAHBWGCKVVZGKM-UHFFFAOYSA-N
MW364.88 g/mol
LogP1.57
Rot. Bonds5

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119694438) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119694438
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CNCCO1.Cl
InChIInChI=1S/C18H24N4O2.ClH/c1-13-16(10-20-18(23)17-11-19-8-9-24-17)14(2)22(21-13)12-15-6-4-3-5-7-15;/h3-7,17,19H,8-12H2,1-2H3,(H,20,23);1H
InChIKeyJAHBWGCKVVZGKM-UHFFFAOYSA-N
XLogP1.57
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]morpholine-2-carboxamide
CID 124588176
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51232800
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 119698864
N-[[4-(N-ethylanilino)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119805525
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
3-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119694410
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753263
trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 41447387
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55558860
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
1-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[(4-benzylmorpholin-2-yl)methyl]urea
CID 78881919

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119694438) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is JAHBWGCKVVZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.ClH/c1-13-16(10-20-18(23)17-11-19-8-9-24-17)14(2)22(21-13)12-15-6-4-3-5-7-15;/h3-7,17,19H,8-12H2,1-2H3,(H,20,23);1H.
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119694438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).