5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide

C19H23N5O2 — CID 42197287

IUPAC5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCN(C[C@H]1CCCCO1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C19H23N5O2/c1-23(12-15-6-4-5-9-26-15)19(25)17-10-14(21-22-17)11-24-13-20-16-7-2-3-8-18(16)24/h2-3,7-8,10,13,15H,4-6,9,11-12H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyMWYIGYZUSALVCB-OAHLLOKOSA-N
MW353.43 g/mol
LogP2.45
Rot. Bonds5

About 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 42197287) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID42197287
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCN(C[C@H]1CCCCO1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C19H23N5O2/c1-23(12-15-6-4-5-9-26-15)19(25)17-10-14(21-22-17)11-24-13-20-16-7-2-3-8-18(16)24/h2-3,7-8,10,13,15H,4-6,9,11-12H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyMWYIGYZUSALVCB-OAHLLOKOSA-N
XLogP2.45
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

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5-(benzimidazol-1-ylmethyl)-N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
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5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95221587
5-(benzimidazol-1-ylmethyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739050
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CID 95191517
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[5-(benzimidazol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 45190716
5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide
CID 26396678
5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide
CID 95201785
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95196702
6-chloro-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 55052209
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide (CID 42197287) is 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide is CN(C[C@H]1CCCCO1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is MWYIGYZUSALVCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23(12-15-6-4-5-9-26-15)19(25)17-10-14(21-22-17)11-24-13-20-16-7-2-3-8-18(16)24/h2-3,7-8,10,13,15H,4-6,9,11-12H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 42197287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).