1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine

C19H23N5 — CID 166954887

IUPAC1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
SMILESC=C(CN(CC)CC)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1
InChIInChI=1S/C19H23N5/c1-4-24(5-2)13-14(3)23-19-9-17-8-15(18-11-21-22-12-18)6-7-16(17)10-20-19/h6-12H,3-5,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKWZNYXJZLRCZGO-UHFFFAOYSA-N
MW321.43 g/mol
LogP3.89
Rot. Bonds7

About 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine

1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine (PubChem CID 166954887) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
PubChem CID166954887
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine
SMILESC=C(CN(CC)CC)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1
InChIInChI=1S/C19H23N5/c1-4-24(5-2)13-14(3)23-19-9-17-8-15(18-11-21-22-12-18)6-7-16(17)10-20-19/h6-12H,3-5,13H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyKWZNYXJZLRCZGO-UHFFFAOYSA-N
XLogP3.89
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(dimethylamino)methyl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 163798960
2-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687833
N-[1-[1-[(1-methylcyclobutyl)methyl]piperidin-4-yl]ethenyl]-6-(1H-pyrazol-4-yl)isoquinolin-3-amine
CID 166954882
2-[ethyl(2-methoxyethyl)amino]-N-(6-pyridazin-4-ylisoquinolin-3-yl)acetamide
CID 142575534
2-[methyl-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]amino]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 135254279
4-[7-(1H-pyrazol-4-yl)naphthalen-2-yl]-1H-pyrazole
CID 168867710
N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 58082338
N-[4-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]cyclohexyl]acetamide
CID 58082313
4-[(4R)-4-methoxy-4-methylcyclohexa-1,5-dien-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]butanamide
CID 173495474
N-[2-oxo-2-[[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]amino]ethyl]-1-phenylcyclopropane-1-carboxamide
CID 59224427
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
2-(3-oxo-1H-isoindol-2-yl)-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 59224422

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine (CID 166954887) is 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine is C=C(CN(CC)CC)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine?
The InChIKey is KWZNYXJZLRCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-4-24(5-2)13-14(3)23-19-9-17-8-15(18-11-21-22-12-18)6-7-16(17)10-20-19/h6-12H,3-5,13H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine?
1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine has a molecular weight of 321.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]prop-2-ene-1,2-diamine is sourced from PubChem (CID 166954887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).