N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C23H28N6O — CID 91904854

IUPACN-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C23H28N6O/c30-23(22-18-8-4-5-9-19(18)25-28-22)24-15-16-10-12-29(13-11-16)21-14-20(26-27-21)17-6-2-1-3-7-17/h1-3,6-7,14,16H,4-5,8-13,15H2,(H,24,30)(H,25,28)(H,26,27)
InChIKeySTTUJBUTWWEBTJ-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.33
Rot. Bonds5

About N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 91904854) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID91904854
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC NameN-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C23H28N6O/c30-23(22-18-8-4-5-9-19(18)25-28-22)24-15-16-10-12-29(13-11-16)21-14-20(26-27-21)17-6-2-1-3-7-17/h1-3,6-7,14,16H,4-5,8-13,15H2,(H,24,30)(H,25,28)(H,26,27)
InChIKeySTTUJBUTWWEBTJ-UHFFFAOYSA-N
XLogP3.33
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 91904854) is N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NCC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is STTUJBUTWWEBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c30-23(22-18-8-4-5-9-19(18)25-28-22)24-15-16-10-12-29(13-11-16)21-14-20(26-27-21)17-6-2-1-3-7-17/h1-3,6-7,14,16H,4-5,8-13,15H2,(H,24,30)(H,25,28)(H,26,27).
What are the key properties of N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 404.52 g/mol, XLogP of 3.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 91904854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).