N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide

C18H22N4O3 — CID 46964376

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n[nH]1
InChIInChI=1S/C18H22N4O3/c1-2-4-15-12-16(21-20-15)17(23)19-14-6-3-5-13(11-14)18(24)22-7-9-25-10-8-22/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyNYRJCWTVTSGEBK-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.09
Rot. Bonds5

About N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 46964376) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID46964376
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n[nH]1
InChIInChI=1S/C18H22N4O3/c1-2-4-15-12-16(21-20-15)17(23)19-14-6-3-5-13(11-14)18(24)22-7-9-25-10-8-22/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,23)(H,20,21)
InChIKeyNYRJCWTVTSGEBK-UHFFFAOYSA-N
XLogP2.09
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-(3-acetylphenyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082912
3-(4-fluorophenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 86996526
N-[3-(morpholine-4-carbonyl)phenyl]-3-propoxybenzamide
CID 17205539
4-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205497
3-ethoxy-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205535
N-[3-(morpholine-4-carbonyl)phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55868165
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 86821073

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 46964376) is N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)n[nH]1.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is NYRJCWTVTSGEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-4-15-12-16(21-20-15)17(23)19-14-6-3-5-13(11-14)18(24)22-7-9-25-10-8-22/h3,5-6,11-12H,2,4,7-10H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 46964376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).