4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine

C14H15N5 — CID 106217212

IUPAC4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
SMILESCC(Nc1c(N)cnc2ccccc12)c1cn[nH]c1
InChIInChI=1S/C14H15N5/c1-9(10-6-17-18-7-10)19-14-11-4-2-3-5-13(11)16-8-12(14)15/h2-9H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVDKPTIQACDKHMK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.71
Rot. Bonds3

About 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine

4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine (PubChem CID 106217212) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
PubChem CID106217212
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine
SMILESCC(Nc1c(N)cnc2ccccc12)c1cn[nH]c1
InChIInChI=1S/C14H15N5/c1-9(10-6-17-18-7-10)19-14-11-4-2-3-5-13(11)16-8-12(14)15/h2-9H,15H2,1H3,(H,16,19)(H,17,18)
InChIKeyVDKPTIQACDKHMK-UHFFFAOYSA-N
XLogP2.71
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]quinoline-3,4-diamine
CID 106387738
4-N-[(2R)-1-phenylpropan-2-yl]quinoline-3,4-diamine
CID 155388769
(2S)-2-[(3-aminoquinolin-4-yl)amino]-3-methylbutan-1-ol
CID 114982592
3-[(3-aminoquinolin-4-yl)amino]pentan-1-ol
CID 113495519
4-N-[(2S)-1-ethoxy-3,3-dimethylbutan-2-yl]quinoline-3,4-diamine
CID 156777884
4-N-[(2R)-1-methoxy-3-phenylpropan-2-yl]quinoline-3,4-diamine
CID 162715623
6-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,6-diamine
CID 106215688
4-N-(1-thiophen-2-ylpropan-2-yl)quinoline-3,4-diamine
CID 103963293
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinazoline-4,7-diamine
CID 106217108
1-N-[1-(1H-pyrazol-4-yl)ethyl]-4-(trifluoromethyl)benzene-1,2-diamine
CID 106217098
2-[(3-aminoquinolin-4-yl)amino]-N-tert-butylacetamide
CID 103963513
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine?
The IUPAC name of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine (CID 106217212) is 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine.
What is the SMILES notation for 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine?
The canonical SMILES for 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine is CC(Nc1c(N)cnc2ccccc12)c1cn[nH]c1.
What is the InChIKey of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine?
The InChIKey is VDKPTIQACDKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-9(10-6-17-18-7-10)19-14-11-4-2-3-5-13(11)16-8-12(14)15/h2-9H,15H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine?
4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-3,4-diamine is sourced from PubChem (CID 106217212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).