1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid

C16H19N3O2 — CID 82187880

IUPAC1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1CN1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-16(21)14-11-17-19(13-7-3-1-4-8-13)15(14)12-18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,20,21)
InChIKeyIZFVBFCVQUCJMQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.56
Rot. Bonds4

About 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid

1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid (PubChem CID 82187880) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid
PubChem CID82187880
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2ccccc2)c1CN1CCCCC1
InChIInChI=1S/C16H19N3O2/c20-16(21)14-11-17-19(13-7-3-1-4-8-13)15(14)12-18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,20,21)
InChIKeyIZFVBFCVQUCJMQ-UHFFFAOYSA-N
XLogP2.56
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-(morpholin-4-ylmethyl)pyrazole-4-carboxylic acid
CID 82187883
5-(azepan-1-ylmethyl)-1-ethylpyrazole-4-carboxylic acid
CID 117217894
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
1-phenyl-N-[(2R)-1-piperidin-1-ylpropan-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 129402287
oxalic acid;1-phenyl-4-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazole
CID 11682746
acetic acid;(4E)-1-phenyl-4-(2-piperidin-1-ylethylidene)-6,7-dihydro-5H-indazole
CID 143189582
[4-(5-ethyl-1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 38358170
2-chloro-1-(1-phenyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl)ethanone
CID 166431919
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
(5-ethyl-1-phenylpyrazol-4-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110885784

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid (CID 82187880) is 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2ccccc2)c1CN1CCCCC1.
What is the InChIKey of 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid?
The InChIKey is IZFVBFCVQUCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-16(21)14-11-17-19(13-7-3-1-4-8-13)15(14)12-18-9-5-2-6-10-18/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,20,21).
What are the key properties of 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid?
1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(piperidin-1-ylmethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 82187880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).