N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C13H22N4O2 — CID 70760651

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCNC[C@H]2O)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)10-6-11(17(3)16-10)13(19)15-9-4-5-14-7-12(9)18/h6,8-9,12,14,18H,4-5,7H2,1-3H3,(H,15,19)/t9-,12-/m1/s1
InChIKeyCSDSDDSZSIITJC-BXKDBHETSA-N
MW266.34 g/mol
LogP-0.00
Rot. Bonds3

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70760651) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70760651
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2CCNC[C@H]2O)n(C)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)10-6-11(17(3)16-10)13(19)15-9-4-5-14-7-12(9)18/h6,8-9,12,14,18H,4-5,7H2,1-3H3,(H,15,19)/t9-,12-/m1/s1
InChIKeyCSDSDDSZSIITJC-BXKDBHETSA-N
XLogP-0.00
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 70760651) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2CCNC[C@H]2O)n(C)n1.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is CSDSDDSZSIITJC-BXKDBHETSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)10-6-11(17(3)16-10)13(19)15-9-4-5-14-7-12(9)18/h6,8-9,12,14,18H,4-5,7H2,1-3H3,(H,15,19)/t9-,12-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70760651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).