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

C24H30N6O — CID 91904862

IUPACN-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(-c2cc(N3CCC(CNC(=O)c4n[nH]c5c4CCCC5)CC3)n[nH]2)cc1
InChIInChI=1S/C24H30N6O/c1-16-6-8-18(9-7-16)21-14-22(28-27-21)30-12-10-17(11-13-30)15-25-24(31)23-19-4-2-3-5-20(19)26-29-23/h6-9,14,17H,2-5,10-13,15H2,1H3,(H,25,31)(H,26,29)(H,27,28)
InChIKeyNXTYUERFLGAWGX-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.63
Rot. Bonds5

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

N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 91904862) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID91904862
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC NameN-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1ccc(-c2cc(N3CCC(CNC(=O)c4n[nH]c5c4CCCC5)CC3)n[nH]2)cc1
InChIInChI=1S/C24H30N6O/c1-16-6-8-18(9-7-16)21-14-22(28-27-21)30-12-10-17(11-13-30)15-25-24(31)23-19-4-2-3-5-20(19)26-29-23/h6-9,14,17H,2-5,10-13,15H2,1H3,(H,25,31)(H,26,29)(H,27,28)
InChIKeyNXTYUERFLGAWGX-UHFFFAOYSA-N
XLogP3.63
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 91904862) is N-[[1-[5-(4-methylphenyl)-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-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1ccc(-c2cc(N3CCC(CNC(=O)c4n[nH]c5c4CCCC5)CC3)n[nH]2)cc1.
What is the InChIKey of N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is NXTYUERFLGAWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-16-6-8-18(9-7-16)21-14-22(28-27-21)30-12-10-17(11-13-30)15-25-24(31)23-19-4-2-3-5-20(19)26-29-23/h6-9,14,17H,2-5,10-13,15H2,1H3,(H,25,31)(H,26,29)(H,27,28).
What are the key properties of N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 418.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-(4-methylphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 91904862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).