5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C14H24N4O3 — CID 71927112

IUPAC5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCOCC(O)CN1CCCC(c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C14H24N4O3/c1-2-21-9-11(19)8-18-5-3-4-10(7-18)12-6-13(14(15)20)17-16-12/h6,10-11,19H,2-5,7-9H2,1H3,(H2,15,20)(H,16,17)
InChIKeyDNHXUNUXKXUWMP-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.09
Rot. Bonds7

About 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927112) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927112
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCOCC(O)CN1CCCC(c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C14H24N4O3/c1-2-21-9-11(19)8-18-5-3-4-10(7-18)12-6-13(14(15)20)17-16-12/h6,10-11,19H,2-5,7-9H2,1H3,(H2,15,20)(H,16,17)
InChIKeyDNHXUNUXKXUWMP-UHFFFAOYSA-N
XLogP0.09
TPSA104.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3R)-1-(2-methylsulfonylethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217786
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
5-[1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927132
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75373887
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
5-[(3R)-1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514013
5-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927110
5-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97217770
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927105
5-[(3R)-1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514087
ethyl (3R)-1-(3-ethoxy-2-hydroxypropyl)piperidine-3-carboxylate
CID 81338320

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927112) is 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCOCC(O)CN1CCCC(c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is DNHXUNUXKXUWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-2-21-9-11(19)8-18-5-3-4-10(7-18)12-6-13(14(15)20)17-16-12/h6,10-11,19H,2-5,7-9H2,1H3,(H2,15,20)(H,16,17).
What are the key properties of 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 0.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethoxy-2-hydroxypropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).