N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline

C19H21N5 — CID 154740115

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline
SMILESC=Cn1cc(CNc2ccc(-c3ncc4n3CCCC4)cc2)cn1
InChIInChI=1S/C19H21N5/c1-2-23-14-15(12-22-23)11-20-17-8-6-16(7-9-17)19-21-13-18-5-3-4-10-24(18)19/h2,6-9,12-14,20H,1,3-5,10-11H2
InChIKeyJCYLZWFIHUQQIN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.80
Rot. Bonds5

About N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline

N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline (PubChem CID 154740115) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline
PubChem CID154740115
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline
SMILESC=Cn1cc(CNc2ccc(-c3ncc4n3CCCC4)cc2)cn1
InChIInChI=1S/C19H21N5/c1-2-23-14-15(12-22-23)11-20-17-8-6-16(7-9-17)19-21-13-18-5-3-4-10-24(18)19/h2,6-9,12-14,20H,1,3-5,10-11H2
InChIKeyJCYLZWFIHUQQIN-UHFFFAOYSA-N
XLogP3.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(1-ethenylpyrazol-4-yl)methyl]-4-propylaniline
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N-[(1-ethenylpyrazol-4-yl)methyl]-2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline
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N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
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4-[(1-ethenylpyrazol-4-yl)methylamino]benzenesulfonamide
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ethyl 4-[(1-ethenylpyrazol-4-yl)methylamino]benzoate
CID 106935650
3-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 130429439
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1-[5-[(1-ethenylpyrazol-4-yl)methylamino]-2,3-dihydroindol-1-yl]ethanone
CID 106935907
2-(methylcarbamoylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]acetamide
CID 75392897
2-methyl-3-(methylamino)-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline (CID 154740115) is N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline is C=Cn1cc(CNc2ccc(-c3ncc4n3CCCC4)cc2)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline?
The InChIKey is JCYLZWFIHUQQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-2-23-14-15(12-22-23)11-20-17-8-6-16(7-9-17)19-21-13-18-5-3-4-10-24(18)19/h2,6-9,12-14,20H,1,3-5,10-11H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline?
N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline has a molecular weight of 319.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)aniline is sourced from PubChem (CID 154740115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).