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

C17H22N6O2 — CID 71871701

IUPAC5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1nc(C)ncc1C(=O)N1CCCC(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)
InChIKeyBPVDOXVJRADFDC-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.19
Rot. Bonds4

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

5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71871701) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71871701
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCc1nc(C)ncc1C(=O)N1CCCC(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)
InChIKeyBPVDOXVJRADFDC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71871701) is 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCc1nc(C)ncc1C(=O)N1CCCC(c2cc(C(N)=O)n[nH]2)C1.
What is the InChIKey of 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is BPVDOXVJRADFDC-UHFFFAOYSA-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).
What are the key properties of 5-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[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-[1-(4-ethyl-2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71871701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).