N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine

C24H27N5O — CID 91896040

IUPACN-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine
SMILESCNC1CCCC(n2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)n2)C1
InChIInChI=1S/C24H27N5O/c1-25-19-3-2-4-20(14-19)29-15-22(24(27-29)16-9-11-26-12-10-16)18-5-7-21-17(13-18)6-8-23(21)28-30/h5,7,9-13,15,19-20,23,25H,2-4,6,8,14H2,1H3
InChIKeyNNFRBCFFCSKCFE-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.07
Rot. Bonds5

About N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine

N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine (PubChem CID 91896040) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine
PubChem CID91896040
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC NameN-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine
SMILESCNC1CCCC(n2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)n2)C1
InChIInChI=1S/C24H27N5O/c1-25-19-3-2-4-20(14-19)29-15-22(24(27-29)16-9-11-26-12-10-16)18-5-7-21-17(13-18)6-8-23(21)28-30/h5,7,9-13,15,19-20,23,25H,2-4,6,8,14H2,1H3
InChIKeyNNFRBCFFCSKCFE-UHFFFAOYSA-N
XLogP5.07
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
The IUPAC name of N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine (CID 91896040) is N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine is CNC1CCCC(n2cc(-c3ccc4c(c3)CCC4N=O)c(-c3ccncc3)n2)C1.
What is the InChIKey of N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
The InChIKey is NNFRBCFFCSKCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-25-19-3-2-4-20(14-19)29-15-22(24(27-29)16-9-11-26-12-10-16)18-5-7-21-17(13-18)6-8-23(21)28-30/h5,7,9-13,15,19-20,23,25H,2-4,6,8,14H2,1H3.
What are the key properties of N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine?
N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine has a molecular weight of 401.51 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 91896040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).