N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide

C17H19N5O2 — CID 95127513

IUPACN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(-c2ccn[nH]2)cc1)c1ccnn1C
InChIInChI=1S/C17H19N5O2/c1-22-16(8-10-19-22)15(11-24-2)20-17(23)13-5-3-12(4-6-13)14-7-9-18-21-14/h3-10,15H,11H2,1-2H3,(H,18,21)(H,20,23)/t15-/m0/s1
InChIKeyOOIGVBKPIGYBEN-HNNXBMFYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds6

About N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 95127513) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID95127513
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCOC[C@H](NC(=O)c1ccc(-c2ccn[nH]2)cc1)c1ccnn1C
InChIInChI=1S/C17H19N5O2/c1-22-16(8-10-19-22)15(11-24-2)20-17(23)13-5-3-12(4-6-13)14-7-9-18-21-14/h3-10,15H,11H2,1-2H3,(H,18,21)(H,20,23)/t15-/m0/s1
InChIKeyOOIGVBKPIGYBEN-HNNXBMFYSA-N
XLogP1.93
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1-methylindole-6-carboxamide
CID 97198905
2-ethylsulfanyl-N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]acetamide
CID 135104273
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 91760742
methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 125440800
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91776008
3-(6-amino-4-methyl-3-pyridinyl)-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 126435015
2-cyclohexyl-N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 97284536
N-[(1S)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-2-morpholin-4-ylbenzamide
CID 95144214

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide (CID 95127513) is N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide is COC[C@H](NC(=O)c1ccc(-c2ccn[nH]2)cc1)c1ccnn1C.
What is the InChIKey of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is OOIGVBKPIGYBEN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-22-16(8-10-19-22)15(11-24-2)20-17(23)13-5-3-12(4-6-13)14-7-9-18-21-14/h3-10,15H,11H2,1-2H3,(H,18,21)(H,20,23)/t15-/m0/s1.
What are the key properties of N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 95127513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).