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

C15H26N4O3 — CID 129323946

IUPACN-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1[C@H]1CCCN(CCOC)C1
InChIInChI=1S/C15H26N4O3/c1-21-8-5-16-15(20)13-10-17-18-14(13)12-4-3-6-19(11-12)7-9-22-2/h10,12H,3-9,11H2,1-2H3,(H,16,20)(H,17,18)/t12-/m0/s1
InChIKeyGYENKODCLJAVKZ-LBPRGKRZSA-N
MW310.40 g/mol
LogP0.61
Rot. Bonds8

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

N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 129323946) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID129323946
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCOCCNC(=O)c1cn[nH]c1[C@H]1CCCN(CCOC)C1
InChIInChI=1S/C15H26N4O3/c1-21-8-5-16-15(20)13-10-17-18-14(13)12-4-3-6-19(11-12)7-9-22-2/h10,12H,3-9,11H2,1-2H3,(H,16,20)(H,17,18)/t12-/m0/s1
InChIKeyGYENKODCLJAVKZ-LBPRGKRZSA-N
XLogP0.61
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129323945
N-(2-methoxyethyl)-5-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 128967063
N-(2-methoxyethyl)-5-[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 129324681
(3R)-N-(1,3-benzodioxol-5-yl)-3-[4-(2-methoxyethylcarbamoyl)-1H-pyrazol-5-yl]piperidine-1-carboxamide
CID 129324417
5-cyclohexyl-N-[2-(4-ethylpiperazin-1-yl)propyl]-1H-pyrazole-4-carboxamide
CID 86798225
azepan-1-yl-[5-[1-[[3-(2-methoxyethoxy)phenyl]methyl]piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 110083019
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
5-cyclohexyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 70770435
5-[1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]piperidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110082956
N-[[(3S)-1-(2-methoxyethyl)piperidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 125177932
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 129323946) is N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is COCCNC(=O)c1cn[nH]c1[C@H]1CCCN(CCOC)C1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is GYENKODCLJAVKZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-21-8-5-16-15(20)13-10-17-18-14(13)12-4-3-6-19(11-12)7-9-22-2/h10,12H,3-9,11H2,1-2H3,(H,16,20)(H,17,18)/t12-/m0/s1.
What are the key properties of N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide?
N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(3S)-1-(2-methoxyethyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 129323946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).