N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide

C21H20N6O2 — CID 163228324

IUPACN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C21H20N6O2/c28-15-9-10-27(12-15)14-7-5-13(6-8-14)21(29)24-19-11-18(25-26-19)20-22-16-3-1-2-4-17(16)23-20/h1-8,11,15,28H,9-10,12H2,(H,22,23)(H2,24,25,26,29)/t15-/m1/s1
InChIKeyKDNOCGDOZJVDCF-OAHLLOKOSA-N
MW388.43 g/mol
LogP2.78
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide (PubChem CID 163228324) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
PubChem CID163228324
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide
SMILESO=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CC[C@@H](O)C2)cc1
InChIInChI=1S/C21H20N6O2/c28-15-9-10-27(12-15)14-7-5-13(6-8-14)21(29)24-19-11-18(25-26-19)20-22-16-3-1-2-4-17(16)23-20/h1-8,11,15,28H,9-10,12H2,(H,22,23)(H2,24,25,26,29)/t15-/m1/s1
InChIKeyKDNOCGDOZJVDCF-OAHLLOKOSA-N
XLogP2.78
TPSA109.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 163228294
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 163228456
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
N-[5-(6-bromo-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxamide
CID 163227977
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 163227860
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
cyclopropylimino-[4-[6-[[4-(3-hydroxypyrrolidin-1-yl)benzoyl]amino]-1H-benzimidazol-2-yl]benzoyl]iminoazanium
CID 175279918
N-[5-(1H-benzimidazol-2-yl)-1-methylpyrazol-3-yl]-6-(4-morpholin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 163227912
6-chloro-N-[5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 163227921

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide (CID 163228324) is N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide is O=C(Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1ccc(N2CC[C@@H](O)C2)cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide?
The InChIKey is KDNOCGDOZJVDCF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N6O2/c28-15-9-10-27(12-15)14-7-5-13(6-8-14)21(29)24-19-11-18(25-26-19)20-22-16-3-1-2-4-17(16)23-20/h1-8,11,15,28H,9-10,12H2,(H,22,23)(H2,24,25,26,29)/t15-/m1/s1.
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide?
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-[(3R)-3-hydroxypyrrolidin-1-yl]benzamide is sourced from PubChem (CID 163228324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).