N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine

C24H35N5O — CID 17391700

IUPACN-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
SMILESCc1cc(CNCC(c2ccco2)N2CCCCC2)c(C)n1-c1ccnn1C(C)C
InChIInChI=1S/C24H35N5O/c1-18(2)29-24(10-11-26-29)28-19(3)15-21(20(28)4)16-25-17-22(23-9-8-14-30-23)27-12-6-5-7-13-27/h8-11,14-15,18,22,25H,5-7,12-13,16-17H2,1-4H3
InChIKeyBIHKJEDHZRMMCC-UHFFFAOYSA-N
MW409.58 g/mol
LogP4.78
Rot. Bonds8

About N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine

N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine (PubChem CID 17391700) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
PubChem CID17391700
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine
SMILESCc1cc(CNCC(c2ccco2)N2CCCCC2)c(C)n1-c1ccnn1C(C)C
InChIInChI=1S/C24H35N5O/c1-18(2)29-24(10-11-26-29)28-19(3)15-21(20(28)4)16-25-17-22(23-9-8-14-30-23)27-12-6-5-7-13-27/h8-11,14-15,18,22,25H,5-7,12-13,16-17H2,1-4H3
InChIKeyBIHKJEDHZRMMCC-UHFFFAOYSA-N
XLogP4.78
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine (CID 17391700) is N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine is Cc1cc(CNCC(c2ccco2)N2CCCCC2)c(C)n1-c1ccnn1C(C)C.
What is the InChIKey of N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
The InChIKey is BIHKJEDHZRMMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-18(2)29-24(10-11-26-29)28-19(3)15-21(20(28)4)16-25-17-22(23-9-8-14-30-23)27-12-6-5-7-13-27/h8-11,14-15,18,22,25H,5-7,12-13,16-17H2,1-4H3.
What are the key properties of N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine?
N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine has a molecular weight of 409.58 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methyl]-2-(furan-2-yl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 17391700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).