(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

C18H26N6O — CID 125141251

IUPAC(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C
InChIInChI=1S/C18H26N6O/c1-13(14-6-7-14)24-17(9-11-20-24)21-18(25)23-12-4-3-5-16(23)15-8-10-19-22(15)2/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyVKNIHGPPCDCNAG-XJKSGUPXSA-N
MW342.45 g/mol
LogP3.35
Rot. Bonds4

About (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide

(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 125141251) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID125141251
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESC[C@@H](C1CC1)n1nccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C
InChIInChI=1S/C18H26N6O/c1-13(14-6-7-14)24-17(9-11-20-24)21-18(25)23-12-4-3-5-16(23)15-8-10-19-22(15)2/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,21,25)/t13-,16+/m0/s1
InChIKeyVKNIHGPPCDCNAG-XJKSGUPXSA-N
XLogP3.35
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 125141251) is (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is C[C@@H](C1CC1)n1nccc1NC(=O)N1CCCC[C@@H]1c1ccnn1C.
What is the InChIKey of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VKNIHGPPCDCNAG-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(14-6-7-14)24-17(9-11-20-24)21-18(25)23-12-4-3-5-16(23)15-8-10-19-22(15)2/h8-11,13-14,16H,3-7,12H2,1-2H3,(H,21,25)/t13-,16+/m0/s1.
What are the key properties of (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide?
(2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2-(2-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 125141251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).