4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine

C14H15N5 — CID 103963005

IUPAC4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCCn1cccn1
InChIInChI=1S/C14H15N5/c15-12-10-17-13-5-2-1-4-11(13)14(12)16-7-9-19-8-3-6-18-19/h1-6,8,10H,7,9,15H2,(H,16,17)
InChIKeyWVENGRDFCRLLEG-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.13
Rot. Bonds4

About 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine

4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine (PubChem CID 103963005) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine.

Molecular Properties

Compound Name4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
PubChem CID103963005
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine
SMILESNc1cnc2ccccc2c1NCCn1cccn1
InChIInChI=1S/C14H15N5/c15-12-10-17-13-5-2-1-4-11(13)14(12)16-7-9-19-8-3-6-18-19/h1-6,8,10H,7,9,15H2,(H,16,17)
InChIKeyWVENGRDFCRLLEG-UHFFFAOYSA-N
XLogP2.13
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 61463091
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
4-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-3,4-diamine
CID 103963489
4-N-(2,2-difluoroethyl)quinoline-3,4-diamine
CID 103963516
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
2-[(3-aminoquinolin-4-yl)amino]acetic acid
CID 103963211
4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
2-N,4-N-bis(2-pyrazol-1-ylethyl)quinazoline-2,4-diamine
CID 133280943
4-N-(1,2-oxazol-5-ylmethyl)quinoline-3,4-diamine
CID 114185848
4-N-(2,2-diethoxyethyl)quinoline-3,4-diamine
CID 86052490
4-N-(2-but-3-enoxyethyl)quinoline-3,4-diamine
CID 106394501

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine?
The IUPAC name of 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine (CID 103963005) is 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine.
What is the SMILES notation for 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine?
The canonical SMILES for 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine is Nc1cnc2ccccc2c1NCCn1cccn1.
What is the InChIKey of 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine?
The InChIKey is WVENGRDFCRLLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c15-12-10-17-13-5-2-1-4-11(13)14(12)16-7-9-19-8-3-6-18-19/h1-6,8,10H,7,9,15H2,(H,16,17).
What are the key properties of 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine?
4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-pyrazol-1-ylethyl)quinoline-3,4-diamine is sourced from PubChem (CID 103963005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).