1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid

C16H21N5O3 — CID 154741187

IUPAC1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)n(C)n1
InChIInChI=1S/C16H21N5O3/c1-3-12-8-14(19(2)18-12)15(22)20-6-4-13(5-7-20)21-10-11(9-17-21)16(23)24/h8-10,13H,3-7H2,1-2H3,(H,23,24)
InChIKeyFZGVTWVSHDICTP-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.35
Rot. Bonds4

About 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid

1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid (PubChem CID 154741187) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
PubChem CID154741187
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid
SMILESCCc1cc(C(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)n(C)n1
InChIInChI=1S/C16H21N5O3/c1-3-12-8-14(19(2)18-12)15(22)20-6-4-13(5-7-20)21-10-11(9-17-21)16(23)24/h8-10,13H,3-7H2,1-2H3,(H,23,24)
InChIKeyFZGVTWVSHDICTP-UHFFFAOYSA-N
XLogP1.35
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid (CID 154741187) is 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid is CCc1cc(C(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)n(C)n1.
What is the InChIKey of 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
The InChIKey is FZGVTWVSHDICTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-3-12-8-14(19(2)18-12)15(22)20-6-4-13(5-7-20)21-10-11(9-17-21)16(23)24/h8-10,13H,3-7H2,1-2H3,(H,23,24).
What are the key properties of 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid?
1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid has a molecular weight of 331.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1-methylpyrazole-5-carbonyl)piperidin-4-yl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 154741187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).