3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid

C19H26N4O2 — CID 148965613

IUPAC3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCN(C(C)C)CC2)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/C19H26N4O2/c1-13(2)22-8-5-17(6-9-22)23-12-16(14(3)21-23)10-15-11-20-7-4-18(15)19(24)25/h4,7,11-13,17H,5-6,8-10H2,1-3H3,(H,24,25)
InChIKeyPSRIIJBFCDNIKZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.92
Rot. Bonds5

About 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid

3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid (PubChem CID 148965613) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
PubChem CID148965613
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
SMILESCc1nn(C2CCN(C(C)C)CC2)cc1Cc1cnccc1C(=O)O
InChIInChI=1S/C19H26N4O2/c1-13(2)22-8-5-17(6-9-22)23-12-16(14(3)21-23)10-15-11-20-7-4-18(15)19(24)25/h4,7,11-13,17H,5-6,8-10H2,1-3H3,(H,24,25)
InChIKeyPSRIIJBFCDNIKZ-UHFFFAOYSA-N
XLogP2.92
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-methyl-1-[(4S)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 157319289
3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 147065342
3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate
CID 159530833
3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 158842110
3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961719
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
N-[(3-methyl-4-pyridinyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 114698856
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 153148612
1-(1-cyclobutyl-3-methylpyrazol-4-yl)propan-2-one
CID 112712664
methyl 3-[[5-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylate
CID 118961929
3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
CID 147827260
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257

Frequently Asked Questions

What is the IUPAC name of 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid (CID 148965613) is 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid is Cc1nn(C2CCN(C(C)C)CC2)cc1Cc1cnccc1C(=O)O.
What is the InChIKey of 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
The InChIKey is PSRIIJBFCDNIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)22-8-5-17(6-9-22)23-12-16(14(3)21-23)10-15-11-20-7-4-18(15)19(24)25/h4,7,11-13,17H,5-6,8-10H2,1-3H3,(H,24,25).
What are the key properties of 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid?
3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 148965613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).