2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine

C16H19N5 — CID 62039822

IUPAC2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
SMILESCc1[nH]ncc1CCCNc1ccc2cc(N)ccc2n1
InChIInChI=1S/C16H19N5/c1-11-13(10-19-21-11)3-2-8-18-16-7-4-12-9-14(17)5-6-15(12)20-16/h4-7,9-10H,2-3,8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyNPERWMRSYVWGGQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.89
Rot. Bonds5

About 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine

2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine (PubChem CID 62039822) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine.

Molecular Properties

Compound Name2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
PubChem CID62039822
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine
SMILESCc1[nH]ncc1CCCNc1ccc2cc(N)ccc2n1
InChIInChI=1S/C16H19N5/c1-11-13(10-19-21-11)3-2-8-18-16-7-4-12-9-14(17)5-6-15(12)20-16/h4-7,9-10H,2-3,8,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyNPERWMRSYVWGGQ-UHFFFAOYSA-N
XLogP2.89
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 62041099
2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
2-[(6-aminoquinolin-2-yl)amino]ethanol
CID 43450889
5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
CID 62040677
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 60524007
5-amino-2-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 62040232
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfanylpyrimidin-4-amine
CID 114156690
1-(3-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040239
5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 139018458
6-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 66326198
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
CID 62648618

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine?
The IUPAC name of 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine (CID 62039822) is 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine.
What is the SMILES notation for 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine?
The canonical SMILES for 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine is Cc1[nH]ncc1CCCNc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine?
The InChIKey is NPERWMRSYVWGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-11-13(10-19-21-11)3-2-8-18-16-7-4-12-9-14(17)5-6-15(12)20-16/h4-7,9-10H,2-3,8,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine?
2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine has a molecular weight of 281.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-2,6-diamine is sourced from PubChem (CID 62039822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).