4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide

C16H21ClN6O2 — CID 126822659

IUPAC4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C16H21ClN6O2/c1-9(2)23-12(6-7-18-23)15-11(4-5-13(24)20-15)19-16(25)14-10(17)8-22(3)21-14/h6-9,11,15H,4-5H2,1-3H3,(H,19,25)(H,20,24)/t11-,15-/m1/s1
InChIKeyIQWGAEWSEGPKDX-IAQYHMDHSA-N
MW364.84 g/mol
LogP1.60
Rot. Bonds4

About 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide

4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 126822659) has the molecular formula C16H21ClN6O2 and a molecular weight of 364.84 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID126822659
Molecular FormulaC16H21ClN6O2
Molecular Weight364.84 g/mol
Exact Mass364.14
IUPAC Name4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide
SMILESCC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nn(C)cc1Cl
InChIInChI=1S/C16H21ClN6O2/c1-9(2)23-12(6-7-18-23)15-11(4-5-13(24)20-15)19-16(25)14-10(17)8-22(3)21-14/h6-9,11,15H,4-5H2,1-3H3,(H,19,25)(H,20,24)/t11-,15-/m1/s1
InChIKeyIQWGAEWSEGPKDX-IAQYHMDHSA-N
XLogP1.60
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide (CID 126822659) is 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide is CC(C)n1nccc1[C@@H]1NC(=O)CC[C@H]1NC(=O)c1nn(C)cc1Cl.
What is the InChIKey of 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is IQWGAEWSEGPKDX-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H21ClN6O2/c1-9(2)23-12(6-7-18-23)15-11(4-5-13(24)20-15)19-16(25)14-10(17)8-22(3)21-14/h6-9,11,15H,4-5H2,1-3H3,(H,19,25)(H,20,24)/t11-,15-/m1/s1.
What are the key properties of 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide?
4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 364.84 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-[(2R,3R)-6-oxo-2-(2-propan-2-ylpyrazol-3-yl)piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 126822659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).