5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H22N6O2 — CID 96514023

IUPAC5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1nc(C)ncc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C17H22N6O2/c1-3-13-12(8-19-10(2)20-13)17(25)23-6-4-5-11(9-23)14-7-15(16(18)24)22-21-14/h7-8,11H,3-6,9H2,1-2H3,(H2,18,24)(H,21,22)/t11-/m1/s1
InChIKeyBPVDOXVJRADFDC-LLVKDONJSA-N
MW342.40 g/mol
LogP1.19
Rot. Bonds4

About 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 96514023) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID96514023
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1nc(C)ncc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1
InChIInChI=1S/C17H22N6O2/c1-3-13-12(8-19-10(2)20-13)17(25)23-6-4-5-11(9-23)14-7-15(16(18)24)22-21-14/h7-8,11H,3-6,9H2,1-2H3,(H2,18,24)(H,21,22)/t11-/m1/s1
InChIKeyBPVDOXVJRADFDC-LLVKDONJSA-N
XLogP1.19
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
5-[(3S)-1-(4-propan-2-ylbenzoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514082
5-[1-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927110
5-[1-(2,3-dihydrofuran-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71871669
5-[(3R)-1-[(6S)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 129470961
5-[(3R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96513943
5-[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 75378860
5-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514043
5-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120849092
5-[(3R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514247
4-[[3-(3-carbamoyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122126620
5-[(3S)-1-[(1S)-1-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 97318255

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 96514023) is 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCc1nc(C)ncc1C(=O)N1CCC[C@@H](c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is BPVDOXVJRADFDC-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-3-13-12(8-19-10(2)20-13)17(25)23-6-4-5-11(9-23)14-7-15(16(18)24)22-21-14/h7-8,11H,3-6,9H2,1-2H3,(H2,18,24)(H,21,22)/t11-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 96514023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).