3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide

C15H16N4O2 — CID 102820968

IUPAC3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C#CCO)ccn2)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-3-12-10-13(19(2)18-12)15(21)17-14-9-11(5-4-8-20)6-7-16-14/h6-7,9-10,20H,3,8H2,1-2H3,(H,16,17,21)
InChIKeyOLMZJANIMOEAIP-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.97
Rot. Bonds3

About 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide

3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide (PubChem CID 102820968) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide
PubChem CID102820968
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2cc(C#CCO)ccn2)n(C)n1
InChIInChI=1S/C15H16N4O2/c1-3-12-10-13(19(2)18-12)15(21)17-14-9-11(5-4-8-20)6-7-16-14/h6-7,9-10,20H,3,8H2,1-2H3,(H,16,17,21)
InChIKeyOLMZJANIMOEAIP-UHFFFAOYSA-N
XLogP0.97
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
CID 102820804
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylfuran-2-carboxamide
CID 102820944
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylsulfanylbenzamide
CID 102820800
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]pyridazine-4-carboxamide
CID 102820836
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 102821067
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 102821001
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 102820945
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 102821025

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide (CID 102820968) is 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2cc(C#CCO)ccn2)n(C)n1.
What is the InChIKey of 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is OLMZJANIMOEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-12-10-13(19(2)18-12)15(21)17-14-9-11(5-4-8-20)6-7-16-14/h6-7,9-10,20H,3,8H2,1-2H3,(H,16,17,21).
What are the key properties of 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide?
3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 102820968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).