N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide

C18H24N4O2 — CID 119894662

IUPACN-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)C3CNCCO3)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-12-10-13(2)22(21-12)16-6-4-15(5-7-16)14(3)20-18(23)17-11-19-8-9-24-17/h4-7,10,14,17,19H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyUGYPDQLAKJUSRH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.65
Rot. Bonds4

About N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide

N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide (PubChem CID 119894662) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide
PubChem CID119894662
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(C)NC(=O)C3CNCCO3)cc2)n1
InChIInChI=1S/C18H24N4O2/c1-12-10-13(2)22(21-12)16-6-4-15(5-7-16)14(3)20-18(23)17-11-19-8-9-24-17/h4-7,10,14,17,19H,8-9,11H2,1-3H3,(H,20,23)
InChIKeyUGYPDQLAKJUSRH-UHFFFAOYSA-N
XLogP1.65
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-methylmorpholine-2-carboxamide
CID 97031376
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
(2R)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119894609
N-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119755952
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119788735
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119691331
2-(cyclopropylmethylamino)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]acetamide
CID 119894640
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
1-[[(1S)-1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124591003
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119722017
N-[1-(3-pyrrolidin-1-ylphenyl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119900435

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide?
The IUPAC name of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide (CID 119894662) is N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide?
The canonical SMILES for N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide is Cc1cc(C)n(-c2ccc(C(C)NC(=O)C3CNCCO3)cc2)n1.
What is the InChIKey of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide?
The InChIKey is UGYPDQLAKJUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-10-13(2)22(21-12)16-6-4-15(5-7-16)14(3)20-18(23)17-11-19-8-9-24-17/h4-7,10,14,17,19H,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide?
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]morpholine-2-carboxamide is sourced from PubChem (CID 119894662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).