2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide

C14H16N4O — CID 63282524

IUPAC2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
SMILESO=C(Cn1cccn1)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C14H16N4O/c19-14(10-18-8-2-7-16-18)17-12-4-5-13-11(9-12)3-1-6-15-13/h2,4-5,7-9,15H,1,3,6,10H2,(H,17,19)
InChIKeyAPXMFDUJSDXNEY-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.88
Rot. Bonds3

About 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide

2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide (PubChem CID 63282524) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
PubChem CID63282524
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
SMILESO=C(Cn1cccn1)Nc1ccc2c(c1)CCCN2
InChIInChI=1S/C14H16N4O/c19-14(10-18-8-2-7-16-18)17-12-4-5-13-11(9-12)3-1-6-15-13/h2,4-5,7-9,15H,1,3,6,10H2,(H,17,19)
InChIKeyAPXMFDUJSDXNEY-UHFFFAOYSA-N
XLogP1.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-2-pyrazol-1-ylacetamide
CID 39724155
2-(cyclopropylmethylamino)-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide
CID 122080484
3-pyridin-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 81485558
3-cyclopentyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)propanamide
CID 62632415
N-(2,3-dihydro-1H-indol-5-yl)-2-phenylacetamide
CID 63252775
2-pyrazol-1-yl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110689996
N-[3-[[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]methyl]phenyl]-2-pyrazol-1-ylacetamide;hydroiodide
CID 111077114
N-(1,2,3,4-tetrahydroquinolin-6-yl)thiadiazole-4-carboxamide;hydrochloride
CID 119547224
1-(2-amino-2-oxoethyl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)triazole-4-carboxamide;hydrochloride
CID 119547328
N-(2,3-dihydro-1H-indol-5-yl)butanamide
CID 63253204
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-2-pyrazol-1-ylacetamide
CID 136557619
1-ethyl-N-(1,2,3,4-tetrahydroquinolin-6-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119547298

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide (CID 63282524) is 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide is O=C(Cn1cccn1)Nc1ccc2c(c1)CCCN2.
What is the InChIKey of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide?
The InChIKey is APXMFDUJSDXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(10-18-8-2-7-16-18)17-12-4-5-13-11(9-12)3-1-6-15-13/h2,4-5,7-9,15H,1,3,6,10H2,(H,17,19).
What are the key properties of 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide?
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide has a molecular weight of 256.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroquinolin-6-yl)acetamide is sourced from PubChem (CID 63282524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).