N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C20H27N5 — CID 46992741

IUPACN-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cccn1-c1cccnc1)C(C)C
InChIInChI=1S/C20H27N5/c1-15(2)24(14-20-16(3)22-23(5)17(20)4)13-19-9-7-11-25(19)18-8-6-10-21-12-18/h6-12,15H,13-14H2,1-5H3
InChIKeyGIIFXFRWHRBJHQ-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.63
Rot. Bonds6

About N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 46992741) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID46992741
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESCc1nn(C)c(C)c1CN(Cc1cccn1-c1cccnc1)C(C)C
InChIInChI=1S/C20H27N5/c1-15(2)24(14-20-16(3)22-23(5)17(20)4)13-19-9-7-11-25(19)18-8-6-10-21-12-18/h6-12,15H,13-14H2,1-5H3
InChIKeyGIIFXFRWHRBJHQ-UHFFFAOYSA-N
XLogP3.63
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 46992741) is N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is Cc1nn(C)c(C)c1CN(Cc1cccn1-c1cccnc1)C(C)C.
What is the InChIKey of N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is GIIFXFRWHRBJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-15(2)24(14-20-16(3)22-23(5)17(20)4)13-19-9-7-11-25(19)18-8-6-10-21-12-18/h6-12,15H,13-14H2,1-5H3.
What are the key properties of N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 337.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 46992741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).