N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

C23H30N4O3 — CID 92637454

IUPACN-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C23H30N4O3/c1-26-16-19(22(28)24-15-18-6-3-2-4-7-18)20(25-26)14-17-9-11-27(12-10-17)23(29)21-8-5-13-30-21/h2-4,6-7,16-17,21H,5,8-15H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyNJZFTVGCRGPKCT-OAQYLSRUSA-N
MW410.52 g/mol
LogP2.31
Rot. Bonds6

About N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92637454) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92637454
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C23H30N4O3/c1-26-16-19(22(28)24-15-18-6-3-2-4-7-18)20(25-26)14-17-9-11-27(12-10-17)23(29)21-8-5-13-30-21/h2-4,6-7,16-17,21H,5,8-15H2,1H3,(H,24,28)/t21-/m1/s1
InChIKeyNJZFTVGCRGPKCT-OAQYLSRUSA-N
XLogP2.31
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637458
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
(2S)-N-benzyl-2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]propanamide
CID 26516182
[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(oxan-4-yl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92638073
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637592
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
N-[(2-methoxyphenyl)methyl]-1-methyl-3-[[1-(pyridine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637598
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92637454) is N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1.
What is the InChIKey of N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is NJZFTVGCRGPKCT-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-26-16-19(22(28)24-15-18-6-3-2-4-7-18)20(25-26)14-17-9-11-27(12-10-17)23(29)21-8-5-13-30-21/h2-4,6-7,16-17,21H,5,8-15H2,1H3,(H,24,28)/t21-/m1/s1.
What are the key properties of N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92637454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).