N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

C14H22N4O2 — CID 97465236

IUPACN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccnn2C)C1
InChIInChI=1S/C14H22N4O2/c1-10-6-11(2)9-18(8-10)13(19)7-15-14(20)12-4-5-16-17(12)3/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)/t10-,11-/m1/s1
InChIKeyBFKRIYJCZXNCRU-GHMZBOCLSA-N
MW278.36 g/mol
LogP0.65
Rot. Bonds3

About N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide

N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 97465236) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
PubChem CID97465236
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
SMILESC[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccnn2C)C1
InChIInChI=1S/C14H22N4O2/c1-10-6-11(2)9-18(8-10)13(19)7-15-14(20)12-4-5-16-17(12)3/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)/t10-,11-/m1/s1
InChIKeyBFKRIYJCZXNCRU-GHMZBOCLSA-N
XLogP0.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

isobutyl 3-(piperidin-1-ylcarbonyl)-1H-pyrazole-1-carboxylate
CID 3243745
1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-methyl-3-(1-piperidinylcarbonyl)-1H-pyrazole-1-carboxamide
CID 874546
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
(1-methyl-1H-pyrazol-5-yl)(morpholino)methanone
CID 6469888
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4H,5H,6H,7H-pyrazolo(1,5-a)pyrazin-4-one
CID 55276477
Pyrazolo[1,5-a]pyrazin-4-ol
CID 58157139
(8aR,11aS)-1-(2-ethylpyrazole-3-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
CID 110201569
N-[(1-cyclopentyl-3-piperidinyl)methyl]-1-methyl-N-[2-(1-piperidinyl)ethyl]-1H-pyrazole-5-carboxamide
CID 24819489
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide (CID 97465236) is N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is C[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccnn2C)C1.
What is the InChIKey of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is BFKRIYJCZXNCRU-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-6-11(2)9-18(8-10)13(19)7-15-14(20)12-4-5-16-17(12)3/h4-5,10-11H,6-9H2,1-3H3,(H,15,20)/t10-,11-/m1/s1.
What are the key properties of N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide?
N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 97465236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).