5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid

C11H17N3O2 — CID 115092279

IUPAC5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
SMILESCCN1CCC(c2cc(C(=O)O)n[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-2-14-5-3-8(4-6-14)9-7-10(11(15)16)13-12-9/h7-8H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyLVAAWTNTQHGFOH-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.31
Rot. Bonds3

About 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid

5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 115092279) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID115092279
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
SMILESCCN1CCC(c2cc(C(=O)O)n[nH]2)CC1
InChIInChI=1S/C11H17N3O2/c1-2-14-5-3-8(4-6-14)9-7-10(11(15)16)13-12-9/h7-8H,2-6H2,1H3,(H,12,13)(H,15,16)
InChIKeyLVAAWTNTQHGFOH-UHFFFAOYSA-N
XLogP1.31
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092280
5-(1-methylpyrrolidin-3-yl)-1H-pyrazole-3-carboxylic acid
CID 115020200
5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
5-cyclopentyl-1H-pyrazole-3-carboxylic acid;ethyl 5-cyclopentyl-1H-pyrazole-3-carboxylate
CID 162018519
5-cyclopropyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 37043755
methyl 5-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 166284523
5-[1-[bis(prop-2-enyl)carbamoyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166290612
5-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166295363
5-(1-ethylpyrrolidin-3-yl)-1,2-oxazole-3-carboxylic acid
CID 115093875
5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
CID 166290611
1-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(methylamino)ethanone
CID 83828020
methyl 5-[1-[(4-methylsulfanylphenyl)methyl]piperidin-4-yl]-1H-pyrazole-3-carboxylate
CID 166284524

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid (CID 115092279) is 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid is CCN1CCC(c2cc(C(=O)O)n[nH]2)CC1.
What is the InChIKey of 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is LVAAWTNTQHGFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-5-3-8(4-6-14)9-7-10(11(15)16)13-12-9/h7-8H,2-6H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid?
5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 223.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 115092279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).