5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide

C20H21N7O2 — CID 138989706

IUPAC5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide
SMILESCCn1cc(-c2[nH]ncc2C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)cn1
InChIInChI=1S/C20H21N7O2/c1-2-27-11-12(9-22-27)18-14(10-21-26-18)20(28)23-13-5-6-15-16(8-13)25-19(24-15)17-4-3-7-29-17/h5-6,8-11,17H,2-4,7H2,1H3,(H,21,26)(H,23,28)(H,24,25)
InChIKeyUXDQGECWXMBGKA-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.27
Rot. Bonds5

About 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide

5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide (PubChem CID 138989706) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide
PubChem CID138989706
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC Name5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide
SMILESCCn1cc(-c2[nH]ncc2C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)cn1
InChIInChI=1S/C20H21N7O2/c1-2-27-11-12(9-22-27)18-14(10-21-26-18)20(28)23-13-5-6-15-16(8-13)25-19(24-15)17-4-3-7-29-17/h5-6,8-11,17H,2-4,7H2,1H3,(H,21,26)(H,23,28)(H,24,25)
InChIKeyUXDQGECWXMBGKA-UHFFFAOYSA-N
XLogP3.27
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5,6-difluoro-1H-benzimidazol-2-yl)phenyl]-5-(1-ethylpyrazol-4-yl)-1H-pyrazole-4-carboxamide
CID 167760510
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119860361
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
4-amino-3-methoxy-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 120595805
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-4-(trifluoromethoxy)benzamide
CID 47825987

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide (CID 138989706) is 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide is CCn1cc(-c2[nH]ncc2C(=O)Nc2ccc3nc(C4CCCO4)[nH]c3c2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is UXDQGECWXMBGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-2-27-11-12(9-22-27)18-14(10-21-26-18)20(28)23-13-5-6-15-16(8-13)25-19(24-15)17-4-3-7-29-17/h5-6,8-11,17H,2-4,7H2,1H3,(H,21,26)(H,23,28)(H,24,25).
What are the key properties of 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide?
5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 391.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 138989706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).