1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

C25H36N4O3 — CID 26319465

IUPAC1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCOCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H36N4O3/c1-31-15-13-27-11-9-22(10-12-27)17-28(20-24-8-5-14-32-24)25(30)23-16-26-29(19-23)18-21-6-3-2-4-7-21/h2-4,6-7,16,19,22,24H,5,8-15,17-18,20H2,1H3/t24-/m1/s1
InChIKeyCXIXPVWAVVYWLV-XMMPIXPASA-N
MW440.59 g/mol
LogP2.91
Rot. Bonds10

About 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide

1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (PubChem CID 26319465) has the molecular formula C25H36N4O3 and a molecular weight of 440.59 g/mol. Its IUPAC name is 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
PubChem CID26319465
Molecular FormulaC25H36N4O3
Molecular Weight440.59 g/mol
Exact Mass440.28
IUPAC Name1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide
SMILESCOCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1
InChIInChI=1S/C25H36N4O3/c1-31-15-13-27-11-9-22(10-12-27)17-28(20-24-8-5-14-32-24)25(30)23-16-26-29(19-23)18-21-6-3-2-4-7-21/h2-4,6-7,16,19,22,24H,5,8-15,17-18,20H2,1H3/t24-/m1/s1
InChIKeyCXIXPVWAVVYWLV-XMMPIXPASA-N
XLogP2.91
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

US11142526, Example 88
CID 137533226
US9670210, Example 104 (1R,2S) inverted question markN-{[1-{[1-(2-methoxyethyl)-1H-pyrazol-4-yl]carbonyl}-4-(methoxymethyl)piperidin-4-yl]methyl}-2-phenylcyclopropanamine
CID 118302787
US10617680, Example 67
CID 135355370
(1-Benzylpyrazol-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35370954
4-[[2-[(4-Methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 53564767
N,N-dimethyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]benzamide
CID 53567267
N-benzyl-N-methyl-2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53571944
N-[(3R,3aR,7aR)-1-[(4-fluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1-methylpyrazole-4-carboxamide
CID 97379082
1-[2-benzyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]dec-8-yl]-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
CID 91922252
N-cyclopentyl-1-isopropyl-N-({1-[2-(2-methylphenyl)ethyl]-4-piperidinyl}methyl)-1H-pyrazole-4-carboxamide
CID 42287068
trans-1-[(1-benzyl-1H-pyrazol-4-yl)carbonyl]-4-ethoxypyrrolidin-3-ol
CID 91787596
[2-Benzyl-8-(1-methyl-1H-pyrazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910420

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide (CID 26319465) is 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is COCCN1CCC(CN(C[C@H]2CCCO2)C(=O)c2cnn(Cc3ccccc3)c2)CC1.
What is the InChIKey of 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is CXIXPVWAVVYWLV-XMMPIXPASA-N. The full InChI is InChI=1S/C25H36N4O3/c1-31-15-13-27-11-9-22(10-12-27)17-28(20-24-8-5-14-32-24)25(30)23-16-26-29(19-23)18-21-6-3-2-4-7-21/h2-4,6-7,16,19,22,24H,5,8-15,17-18,20H2,1H3/t24-/m1/s1.
What are the key properties of 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide?
1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 440.59 g/mol, XLogP of 2.91, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 26319465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).