5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide

C18H30N4O2 — CID 72884873

IUPAC5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCN(C3CCOCC3)CC2)c1C
InChIInChI=1S/C18H30N4O2/c1-3-8-22-14(2)17(13-19-22)18(23)20-15-4-9-21(10-5-15)16-6-11-24-12-7-16/h13,15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyITDNSKYXWPRQDS-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.97
Rot. Bonds5

About 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide

5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide (PubChem CID 72884873) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
PubChem CID72884873
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)NC2CCN(C3CCOCC3)CC2)c1C
InChIInChI=1S/C18H30N4O2/c1-3-8-22-14(2)17(13-19-22)18(23)20-15-4-9-21(10-5-15)16-6-11-24-12-7-16/h13,15-16H,3-12H2,1-2H3,(H,20,23)
InChIKeyITDNSKYXWPRQDS-UHFFFAOYSA-N
XLogP1.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474450
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662
N-[3-(cyclohexylamino)-3-oxopropyl]-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72862716
N-{1-[2-(cyclopropylamino)-2-oxoethyl]-4-piperidinyl}-3-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72881294
5-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide
CID 72929946
N,1,3-trimethyl-N-(1-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 42352823
N-[(3-hydroxy-3-piperidinyl)methyl]-5-methyl-1-propyl-1H-pyrazole-4-carboxamide
CID 72847093
N~4~-{(3S,4R)-4-[(Dimethylamino)methyl]-1-tetrahydro-2H-pyran-4-yltetrahydro-1H-pyrrol-3-YL}-1,3-dimethyl-1H-pyrazole-4-carboxamide
CID 91923203

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide (CID 72884873) is 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)NC2CCN(C3CCOCC3)CC2)c1C.
What is the InChIKey of 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
The InChIKey is ITDNSKYXWPRQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-8-22-14(2)17(13-19-22)18(23)20-15-4-9-21(10-5-15)16-6-11-24-12-7-16/h13,15-16H,3-12H2,1-2H3,(H,20,23).
What are the key properties of 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide?
5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[1-(oxan-4-yl)piperidin-4-yl]-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 72884873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).