5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide

C12H16N4O2 — CID 170513585

IUPAC5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc([C@@H](C)C2=NN(C(N)=O)CC2)cn1
InChIInChI=1S/C12H16N4O2/c1-8(9-3-4-11(18-2)14-7-9)10-5-6-16(15-10)12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H2,13,17)/t8-/m1/s1
InChIKeyDYGJVALPOAWJQV-MRVPVSSYSA-N
MW248.29 g/mol
LogP1.33
Rot. Bonds3

About 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide

5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide (PubChem CID 170513585) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide
PubChem CID170513585
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide
SMILESCOc1ccc([C@@H](C)C2=NN(C(N)=O)CC2)cn1
InChIInChI=1S/C12H16N4O2/c1-8(9-3-4-11(18-2)14-7-9)10-5-6-16(15-10)12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H2,13,17)/t8-/m1/s1
InChIKeyDYGJVALPOAWJQV-MRVPVSSYSA-N
XLogP1.33
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]-3,4-dihydropyrazole-2-carboxamide
CID 170513597
(1S)-1-amino-1-(6-methoxy-3-pyridinyl)propan-2-ol
CID 130700644
methyl 2,3-dihydroxy-3-(6-methoxy-3-pyridinyl)propanoate
CID 171863841
1-(azepan-1-yl)-2-chloro-2-(6-methoxy-3-pyridinyl)ethanone
CID 114938447
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
ethyl 2-(butan-2-ylamino)-2-(6-methoxy-3-pyridinyl)acetate
CID 114937457
bis(6-methoxy-3-pyridinyl)methanol;ethane
CID 145185177
2-(cyclohexylamino)-2-(6-methoxy-3-pyridinyl)acetamide
CID 114937363
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
(2S)-2-amino-3-(6-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 144781663
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide (CID 170513585) is 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide is COc1ccc([C@@H](C)C2=NN(C(N)=O)CC2)cn1.
What is the InChIKey of 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is DYGJVALPOAWJQV-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8(9-3-4-11(18-2)14-7-9)10-5-6-16(15-10)12(13)17/h3-4,7-8H,5-6H2,1-2H3,(H2,13,17)/t8-/m1/s1.
What are the key properties of 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide?
5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-(6-methoxy-3-pyridinyl)ethyl]-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 170513585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).