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

C19H26N4O2 — CID 71879874

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2/c1-25-12-11-23-9-7-15(8-10-23)13-20-19(24)17-14-21-22-18(17)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyOJYUQENSRLHLIS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.16
Rot. Bonds7

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

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 71879874) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID71879874
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cn[nH]c2-c2ccccc2)CC1
InChIInChI=1S/C19H26N4O2/c1-25-12-11-23-9-7-15(8-10-23)13-20-19(24)17-14-21-22-18(17)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,20,24)(H,21,22)
InChIKeyOJYUQENSRLHLIS-UHFFFAOYSA-N
XLogP2.16
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-7-carboxamide
CID 71879940
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72931509
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
5-(4-chlorophenyl)-N-[(3-methoxycyclobutyl)methyl]-1H-pyrazole-4-carboxamide
CID 166247364
(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
2,2-dimethyl-N-[[(3R)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]propanamide
CID 95193385
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 71879874) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is COCCN1CCC(CNC(=O)c2cn[nH]c2-c2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is OJYUQENSRLHLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-12-11-23-9-7-15(8-10-23)13-20-19(24)17-14-21-22-18(17)16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71879874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).