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

C20H21N5O — CID 91896033

IUPAC3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1
InChIInChI=1S/C20H21N5O/c21-8-1-11-25-13-18(20(23-25)14-6-9-22-10-7-14)16-2-4-17-15(12-16)3-5-19(17)24-26/h2,4,6-7,9-10,12-13,19H,1,3,5,8,11,21H2
InChIKeyQEGWQNKUFAZZCG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.71
Rot. Bonds6

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

3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine (PubChem CID 91896033) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine
PubChem CID91896033
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine
SMILESNCCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1
InChIInChI=1S/C20H21N5O/c21-8-1-11-25-13-18(20(23-25)14-6-9-22-10-7-14)16-2-4-17-15(12-16)3-5-19(17)24-26/h2,4,6-7,9-10,12-13,19H,1,3,5,8,11,21H2
InChIKeyQEGWQNKUFAZZCG-UHFFFAOYSA-N
XLogP3.71
TPSA86.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine (CID 91896033) is 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine is NCCCn1cc(-c2ccc3c(c2)CCC3N=O)c(-c2ccncc2)n1.
What is the InChIKey of 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine?
The InChIKey is QEGWQNKUFAZZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-8-1-11-25-13-18(20(23-25)14-6-9-22-10-7-14)16-2-4-17-15(12-16)3-5-19(17)24-26/h2,4,6-7,9-10,12-13,19H,1,3,5,8,11,21H2.
What are the key properties of 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine?
3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine has a molecular weight of 347.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-nitroso-2,3-dihydro-1H-inden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 91896033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).