[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C27H30N6O — CID 121279703

IUPAC[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2cnn(Cc3ccccc3)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C27H30N6O/c1-18(2)24-13-26(31-30-24)27(34)32-10-9-21(16-32)25-12-22(11-19(3)29-25)23-14-28-33(17-23)15-20-7-5-4-6-8-20/h4-8,11-14,17-18,21H,9-10,15-16H2,1-3H3,(H,30,31)
InChIKeyZMMWAYLSGNDHBJ-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.78
Rot. Bonds6

About [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 121279703) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID121279703
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(-c2cnn(Cc3ccccc3)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1
InChIInChI=1S/C27H30N6O/c1-18(2)24-13-26(31-30-24)27(34)32-10-9-21(16-32)25-12-22(11-19(3)29-25)23-14-28-33(17-23)15-20-7-5-4-6-8-20/h4-8,11-14,17-18,21H,9-10,15-16H2,1-3H3,(H,30,31)
InChIKeyZMMWAYLSGNDHBJ-UHFFFAOYSA-N
XLogP4.78
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone with MolForge

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
N-Benzyl-4-(4-(3-chlorophenyl)-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 135449325
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
3-Ethyl-4-methyl-N'-(4-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 6872295
N-(3-carbamoyl-1-methylpyrazol-4-yl)-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 73442848
US10022354, Example 5
CID 121279569
N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
IL-17 modulator 4
CID 153616520
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 1473242
US10022354, Example 2
CID 95834606
US10022354, Example 1
CID 95834607
US10022354, Example 78
CID 110264830

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 121279703) is [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1cc(-c2cnn(Cc3ccccc3)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.
What is the InChIKey of [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is ZMMWAYLSGNDHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c1-18(2)24-13-26(31-30-24)27(34)32-10-9-21(16-32)25-12-22(11-19(3)29-25)23-14-28-33(17-23)15-20-7-5-4-6-8-20/h4-8,11-14,17-18,21H,9-10,15-16H2,1-3H3,(H,30,31).
What are the key properties of [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 454.58 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(1-benzylpyrazol-4-yl)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 121279703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).