2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C17H21N5O3 — CID 119073577

IUPAC2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCc1cc(C(=O)N2CCCC(c3ccn(CC(=O)O)n3)C2)nc(C)n1
InChIInChI=1S/C17H21N5O3/c1-11-8-15(19-12(2)18-11)17(25)21-6-3-4-13(9-21)14-5-7-22(20-14)10-16(23)24/h5,7-8,13H,3-4,6,9-10H2,1-2H3,(H,23,24)
InChIKeyVRLNHRJQUIRPTO-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.39
Rot. Bonds4

About 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 119073577) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID119073577
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESCc1cc(C(=O)N2CCCC(c3ccn(CC(=O)O)n3)C2)nc(C)n1
InChIInChI=1S/C17H21N5O3/c1-11-8-15(19-12(2)18-11)17(25)21-6-3-4-13(9-21)14-5-7-22(20-14)10-16(23)24/h5,7-8,13H,3-4,6,9-10H2,1-2H3,(H,23,24)
InChIKeyVRLNHRJQUIRPTO-UHFFFAOYSA-N
XLogP1.39
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(3R)-1-(isoquinoline-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126441239
4-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]benzoic acid
CID 72878672
2-[3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119072967
2-[3-[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126440008
2-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119069700
2-[3-[1-(thiophene-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119071899
2-[3-[(3S)-1-(cyclohexanecarbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439114
2-[3-[(3S)-1-[2-(2,5-dimethylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126443468
2-[3-[(3R)-1-[2-(2,5-dimethylphenyl)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126443469
2-[3-[(3R)-1-(3-hydroxy-4-methoxybenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126450047
2-[3-[1-(3-methoxypropanoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119065402
2-[3-[1-[2-(2-methoxyethoxy)acetyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064391

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 119073577) is 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is Cc1cc(C(=O)N2CCCC(c3ccn(CC(=O)O)n3)C2)nc(C)n1.
What is the InChIKey of 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is VRLNHRJQUIRPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-8-15(19-12(2)18-11)17(25)21-6-3-4-13(9-21)14-5-7-22(20-14)10-16(23)24/h5,7-8,13H,3-4,6,9-10H2,1-2H3,(H,23,24).
What are the key properties of 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 343.39 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119073577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).