2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C19H25FN4O2 — CID 71700774

IUPAC2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H25FN4O2/c1-14-17(19(23-22-14)15-3-5-16(20)6-4-15)13-18(25)21-7-2-8-24-9-11-26-12-10-24/h3-6H,2,7-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyQCIPNAKYXMDBJD-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.91
Rot. Bonds7

About 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 71700774) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID71700774
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCCN1CCOCC1
InChIInChI=1S/C19H25FN4O2/c1-14-17(19(23-22-14)15-3-5-16(20)6-4-15)13-18(25)21-7-2-8-24-9-11-26-12-10-24/h3-6H,2,7-13H2,1H3,(H,21,25)(H,22,23)
InChIKeyQCIPNAKYXMDBJD-UHFFFAOYSA-N
XLogP1.91
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
6-(4-fluorophenyl)-3-(3-morpholin-4-ylpropylamino)-4H-1,2,4-triazin-5-one
CID 135634761
2-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 71703964
2-[4-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19484958
(5S)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 28855236
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108514068
1-[(4-fluorobenzoyl)amino]-3-(3-morpholin-4-ylpropyl)thiourea
CID 8657307
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-(4-fluoroanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016608
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 71700774) is 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is QCIPNAKYXMDBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14-17(19(23-22-14)15-3-5-16(20)6-4-15)13-18(25)21-7-2-8-24-9-11-26-12-10-24/h3-6H,2,7-13H2,1H3,(H,21,25)(H,22,23).
What are the key properties of 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 360.43 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 71700774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).