N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide

C21H28N6O — CID 42794175

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide
SMILESCCN1CCCC1CN(Cc1cc(C)nn1C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H28N6O/c1-4-26-11-7-8-16(26)13-27(14-17-12-15(2)24-25(17)3)21(28)20-18-9-5-6-10-19(18)22-23-20/h5-6,9-10,12,16H,4,7-8,11,13-14H2,1-3H3,(H,22,23)
InChIKeyVUMQTBQRSBKDMU-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.73
Rot. Bonds6

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide (PubChem CID 42794175) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide
PubChem CID42794175
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide
SMILESCCN1CCCC1CN(Cc1cc(C)nn1C)C(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C21H28N6O/c1-4-26-11-7-8-16(26)13-27(14-17-12-15(2)24-25(17)3)21(28)20-18-9-5-6-10-19(18)22-23-20/h5-6,9-10,12,16H,4,7-8,11,13-14H2,1-3H3,(H,22,23)
InChIKeyVUMQTBQRSBKDMU-UHFFFAOYSA-N
XLogP2.73
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide (CID 42794175) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide is CCN1CCCC1CN(Cc1cc(C)nn1C)C(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is VUMQTBQRSBKDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-4-26-11-7-8-16(26)13-27(14-17-12-15(2)24-25(17)3)21(28)20-18-9-5-6-10-19(18)22-23-20/h5-6,9-10,12,16H,4,7-8,11,13-14H2,1-3H3,(H,22,23).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 42794175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).