N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride

C12H22Cl2N4O2 — CID 71298534

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCCn1nc(C)c(NC(=O)C2CNCCO2)c1C.Cl.Cl
InChIInChI=1S/C12H20N4O2.2ClH/c1-4-16-9(3)11(8(2)15-16)14-12(17)10-7-13-5-6-18-10;;/h10,13H,4-7H2,1-3H3,(H,14,17);2*1H
InChIKeyYELZCTBRWNRXLW-UHFFFAOYSA-N
MW325.24 g/mol
LogP1.29
Rot. Bonds3

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride (PubChem CID 71298534) has the molecular formula C12H22Cl2N4O2 and a molecular weight of 325.24 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
PubChem CID71298534
Molecular FormulaC12H22Cl2N4O2
Molecular Weight325.24 g/mol
Exact Mass324.11
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
SMILESCCn1nc(C)c(NC(=O)C2CNCCO2)c1C.Cl.Cl
InChIInChI=1S/C12H20N4O2.2ClH/c1-4-16-9(3)11(8(2)15-16)14-12(17)10-7-13-5-6-18-10;;/h10,13H,4-7H2,1-3H3,(H,14,17);2*1H
InChIKeyYELZCTBRWNRXLW-UHFFFAOYSA-N
XLogP1.29
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
CID 95805150
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
(2S,5R)-5-(aminomethyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide;hydrochloride
CID 120794437
(2R)-N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]morpholine-2-carboxamide
CID 125177439
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119694438
3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
CID 79402107
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 154894688
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753263

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride (CID 71298534) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride is CCn1nc(C)c(NC(=O)C2CNCCO2)c1C.Cl.Cl.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride?
The InChIKey is YELZCTBRWNRXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2.2ClH/c1-4-16-9(3)11(8(2)15-16)14-12(17)10-7-13-5-6-18-10;;/h10,13H,4-7H2,1-3H3,(H,14,17);2*1H.
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride has a molecular weight of 325.24 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 71298534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).