4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

C15H19N5O2 — CID 77090082

IUPAC4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1nccc(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)n1
InChIInChI=1S/C15H19N5O2/c1-10-16-5-2-13(18-10)11-3-6-20(7-4-11)9-12-8-17-19-14(12)15(21)22/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)(H,21,22)
InChIKeySTUNCUCTUNTDLH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds4

About 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid

4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (PubChem CID 77090082) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
PubChem CID77090082
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
SMILESCc1nccc(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)n1
InChIInChI=1S/C15H19N5O2/c1-10-16-5-2-13(18-10)11-3-6-20(7-4-11)9-12-8-17-19-14(12)15(21)22/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)(H,21,22)
InChIKeySTUNCUCTUNTDLH-UHFFFAOYSA-N
XLogP1.59
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(Propan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 82396338
methyl 5-(4-methylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72900223
(R)-4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazole-3-carboxylic acid
CID 58486578
4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 66897084
7-Propan-2-yl-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 105519514
5-[4-(dimethylamino)-5-fluoropyrimidin-2-yl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 137335186
5-[5-fluoro-4-(1-pyrrolidinyl)-2-pyrimidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154564026
5-[6-(Trifluoromethyl)pyrimidin-4-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154566577
5-[4-Methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154779726
4-[[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56869404
4-({3-[(2-methyl-1H-imidazol-1-yl)methyl]piperidin-1-yl}methyl)-1H-pyrazole-3-carboxylic acid
CID 131925297
2-Methyl-4-[1-(1H-pyrazol-4-ylcarbonyl)-4-piperidyl]-5-pyrimidinecarboxylic acid
CID 132331937

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid (CID 77090082) is 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is Cc1nccc(C2CCN(Cc3cn[nH]c3C(=O)O)CC2)n1.
What is the InChIKey of 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
The InChIKey is STUNCUCTUNTDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-16-5-2-13(18-10)11-3-6-20(7-4-11)9-12-8-17-19-14(12)15(21)22/h2,5,8,11H,3-4,6-7,9H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid?
4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 77090082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).