2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide

C15H15N5O — CID 106218026

IUPAC2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(N)nc2ccccc12)c1cn[nH]c1
InChIInChI=1S/C15H15N5O/c1-9(10-7-17-18-8-10)19-15(21)12-6-14(16)20-13-5-3-2-4-11(12)13/h2-9H,1H3,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyPYFKJLYAPRZENF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.03
Rot. Bonds3

About 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide

2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide (PubChem CID 106218026) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
PubChem CID106218026
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(N)nc2ccccc12)c1cn[nH]c1
InChIInChI=1S/C15H15N5O/c1-9(10-7-17-18-8-10)19-15(21)12-6-14(16)20-13-5-3-2-4-11(12)13/h2-9H,1H3,(H2,16,20)(H,17,18)(H,19,21)
InChIKeyPYFKJLYAPRZENF-UHFFFAOYSA-N
XLogP2.03
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62154124
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
2-amino-N-(1-methoxy-3-methylbutan-2-yl)quinoline-4-carboxamide
CID 65053035
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
2-amino-N-(1-methylsulfonylpropan-2-yl)quinoline-4-carboxamide
CID 64643078
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114159645
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
2-amino-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218076

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide (CID 106218026) is 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide is CC(NC(=O)c1cc(N)nc2ccccc12)c1cn[nH]c1.
What is the InChIKey of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is PYFKJLYAPRZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9(10-7-17-18-8-10)19-15(21)12-6-14(16)20-13-5-3-2-4-11(12)13/h2-9H,1H3,(H2,16,20)(H,17,18)(H,19,21).
What are the key properties of 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide?
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 106218026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).