1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid

C19H24N4O2 — CID 166295148

IUPAC1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(C2CCN(Cc3ccc(C4CCC4)cn3)CC2)n1
InChIInChI=1S/C19H24N4O2/c24-19(25)18-8-11-23(21-18)17-6-9-22(10-7-17)13-16-5-4-15(12-20-16)14-2-1-3-14/h4-5,8,11-12,14,17H,1-3,6-7,9-10,13H2,(H,24,25)
InChIKeyLZDNINMSCLVAKQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.08
Rot. Bonds5

About 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid

1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid (PubChem CID 166295148) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
PubChem CID166295148
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(C2CCN(Cc3ccc(C4CCC4)cn3)CC2)n1
InChIInChI=1S/C19H24N4O2/c24-19(25)18-8-11-23(21-18)17-6-9-22(10-7-17)13-16-5-4-15(12-20-16)14-2-1-3-14/h4-5,8,11-12,14,17H,1-3,6-7,9-10,13H2,(H,24,25)
InChIKeyLZDNINMSCLVAKQ-UHFFFAOYSA-N
XLogP3.08
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

1-[1-[(5-tert-butyl-3-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid
CID 167923021
1-(4-methylcyclohexyl)pyrazole-3-carboxylic acid
CID 64748929
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
5-[(5-cyclohexyl-2-pyridinyl)methylamino]pyridine-2-carboxylic acid
CID 135241712
1-(1-cyclobutylpyrazol-3-yl)propan-1-one
CID 174824518
1-cyclopropylpyrazole-3-carboxamide
CID 129189141
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
4-[1-[(5-ethyl-2-pyridinyl)methyl]piperidin-3-yl]benzoic acid
CID 72938414
1-(6-oxaspiro[4.5]decan-9-yl)pyrazole-3-carboxylic acid
CID 79893998
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]pyrazole-3-carboxylic acid
CID 125453219

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid (CID 166295148) is 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(C2CCN(Cc3ccc(C4CCC4)cn3)CC2)n1.
What is the InChIKey of 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
The InChIKey is LZDNINMSCLVAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(25)18-8-11-23(21-18)17-6-9-22(10-7-17)13-16-5-4-15(12-20-16)14-2-1-3-14/h4-5,8,11-12,14,17H,1-3,6-7,9-10,13H2,(H,24,25).
What are the key properties of 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid?
1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-cyclobutyl-2-pyridinyl)methyl]piperidin-4-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 166295148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).