N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide

C14H23N3O2 — CID 124625531

IUPACN-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCn1cc(CCCNC(=O)C[C@H]2CCCOC2)cn1
InChIInChI=1S/C14H23N3O2/c1-17-10-13(9-16-17)4-2-6-15-14(18)8-12-5-3-7-19-11-12/h9-10,12H,2-8,11H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyJFMFVCZUZRRKTP-GFCCVEGCSA-N
MW265.36 g/mol
LogP1.29
Rot. Bonds6

About N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide

N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide (PubChem CID 124625531) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide
PubChem CID124625531
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide
SMILESCn1cc(CCCNC(=O)C[C@H]2CCCOC2)cn1
InChIInChI=1S/C14H23N3O2/c1-17-10-13(9-16-17)4-2-6-15-14(18)8-12-5-3-7-19-11-12/h9-10,12H,2-8,11H2,1H3,(H,15,18)/t12-/m1/s1
InChIKeyJFMFVCZUZRRKTP-GFCCVEGCSA-N
XLogP1.29
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-N-but-2-ynyl-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005954
(2R,4R)-2-ethyl-N-[[(2R,3S)-1-ethyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]-N-methyloxane-4-carboxamide
CID 129328539
(4S,5R)-4-[[[(2S,6S)-2,6-dimethyloxan-4-yl]amino]methyl]-1-(2-methoxyethyl)-5-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 129336777
N,2-dimethyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]tetrahydro-2H-pyran-2-carboxamide
CID 56757436
4-[[[2-(1-Methylpyrazol-4-yl)cyclopropanecarbonyl]amino]methyl]oxane-4-carboxamide
CID 56821643
N-[1-(methoxymethyl)cyclopentyl]-3-(1-methyl-1H-pyrazol-4-yl)propanamide
CID 77089232
[2-(1-Methylpyrazol-4-yl)-2-(oxan-4-yl)ethyl]carbamic acid
CID 117870224
ethyl (3R,4S)-4-(1-methylpyrazol-4-yl)piperidine-3-carboxylate
CID 146402078
ethyl (3S,4R)-4-(1-methylpyrazol-4-yl)piperidine-3-carboxylate
CID 146402080
Ethyl 4-(1-methylpyrazol-4-yl)piperidine-3-carboxylate
CID 146402081
ethyl (3R)-4-(1-methylpyrazol-4-yl)piperidine-3-carboxylate
CID 153338995
(4-Methyloxan-4-yl)-[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]methanone
CID 155207949

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide?
The IUPAC name of N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide (CID 124625531) is N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide.
What is the SMILES notation for N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide?
The canonical SMILES for N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide is Cn1cc(CCCNC(=O)C[C@H]2CCCOC2)cn1.
What is the InChIKey of N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide?
The InChIKey is JFMFVCZUZRRKTP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-17-10-13(9-16-17)4-2-6-15-14(18)8-12-5-3-7-19-11-12/h9-10,12H,2-8,11H2,1H3,(H,15,18)/t12-/m1/s1.
What are the key properties of N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide?
N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylpyrazol-4-yl)propyl]-2-[(3R)-oxan-3-yl]acetamide is sourced from PubChem (CID 124625531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).