N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide

C12H20N4O2 — CID 86812391

IUPACN-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C12H20N4O2/c1-18-6-5-14-12(17)10-8-15-16-11(10)9-3-2-4-13-7-9/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyXXXZWRSNUYGTSW-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.25
Rot. Bonds5

About N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide

N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 86812391) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide
PubChem CID86812391
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1C1CCCNC1
InChIInChI=1S/C12H20N4O2/c1-18-6-5-14-12(17)10-8-15-16-11(10)9-3-2-4-13-7-9/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyXXXZWRSNUYGTSW-UHFFFAOYSA-N
XLogP0.25
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[(3-cyclohexyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56888097
3-cyclohexyl-N-[(3S*,4S*)-4-ethoxy-1-methyl-3-pyrrolidinyl]-1H-pyrazole-4-carboxamide
CID 70752265
3-cyclohexyl-N-[(3S*,4R*)-4-ethoxytetrahydro-3-furanyl]-1H-pyrazole-4-carboxamide
CID 70760698
3-cyclohexyl-N-[(3R*,4R*)-4-(1-pyrrolidinyl)tetrahydro-3-furanyl]-1H-pyrazole-4-carboxamide
CID 70765557
5-[1-[(1-hydroxycyclohexyl)methyl]-3-methylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110272377
5-(piperidin-2-yl)-1H-pyrazole-4-carboxamide hydrochloride
CID 132300907
1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99778581
8-[(3-propyl-1H-pyrazol-4-yl)carbonyl]-1-oxa-8-azaspiro[4.5]decane
CID 56868207
4-[(3-cyclohexyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 74233588
3-Ethyl-N-[1-(methoxymethyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 74248383
N,N-dimethyl-5-piperidin-3-yl-1H-pyrazole-4-carboxamide
CID 86812282
3-(piperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 91662771

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide (CID 86812391) is N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide is COCCNC(=O)c1cn[nH]c1C1CCCNC1.
What is the InChIKey of N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is XXXZWRSNUYGTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-18-6-5-14-12(17)10-8-15-16-11(10)9-3-2-4-13-7-9/h8-9,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide?
N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-piperidin-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86812391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).