1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide

C18H23N5O2 — CID 70740746

IUPAC1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H23N5O2/c1-5-23-16(9-14(22-23)11(2)3)18(24)19-10-17-20-13-7-6-12(25-4)8-15(13)21-17/h6-9,11H,5,10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyKDUUYCDNWUVAHP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.84
Rot. Bonds6

About 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide

1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70740746) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70740746
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NCc1nc2ccc(OC)cc2[nH]1
InChIInChI=1S/C18H23N5O2/c1-5-23-16(9-14(22-23)11(2)3)18(24)19-10-17-20-13-7-6-12(25-4)8-15(13)21-17/h6-9,11H,5,10H2,1-4H3,(H,19,24)(H,20,21)
InChIKeyKDUUYCDNWUVAHP-UHFFFAOYSA-N
XLogP2.84
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide with MolForge

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Related Compounds

N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70738211
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,7-dimethylindole-2-carboxamide
CID 72864091
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 131915305
N-(1H-benzimidazol-2-ylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083943
1-ethyl-N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 78890944
1-(1-ethylpyrazol-3-yl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]methanamine
CID 131936062
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]oxolane-3-carboxamide
CID 118795023
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 118782033
1-ethyl-N-[(3-methylthiophen-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 38006616
ethane;1-ethyl-N-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 176998703
2-[(6-methoxy-1H-benzimidazol-2-yl)methylsulfanyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 146025346

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 70740746) is 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NCc1nc2ccc(OC)cc2[nH]1.
What is the InChIKey of 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is KDUUYCDNWUVAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-5-23-16(9-14(22-23)11(2)3)18(24)19-10-17-20-13-7-6-12(25-4)8-15(13)21-17/h6-9,11H,5,10H2,1-4H3,(H,19,24)(H,20,21).
What are the key properties of 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70740746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).