(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C17H27N7O — CID 164641003

IUPAC(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)n1
InChIInChI=1S/C17H27N7O/c1-21(2)11-12-24-10-7-16(20-24)18-17(25)23-8-4-5-14(13-23)15-6-9-22(3)19-15/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,18,20,25)/t14-/m0/s1
InChIKeyVUTNVQXULBLPFM-AWEZNQCLSA-N
MW345.45 g/mol
LogP1.59
Rot. Bonds5

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

(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 164641003) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID164641003
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCN(C)CCn1ccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)n1
InChIInChI=1S/C17H27N7O/c1-21(2)11-12-24-10-7-16(20-24)18-17(25)23-8-4-5-14(13-23)15-6-9-22(3)19-15/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,18,20,25)/t14-/m0/s1
InChIKeyVUTNVQXULBLPFM-AWEZNQCLSA-N
XLogP1.59
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 164641003) is (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is CN(C)CCn1ccc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)n1.
What is the InChIKey of (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is VUTNVQXULBLPFM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N7O/c1-21(2)11-12-24-10-7-16(20-24)18-17(25)23-8-4-5-14(13-23)15-6-9-22(3)19-15/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3,(H,18,20,25)/t14-/m0/s1.
What are the key properties of (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
(3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 164641003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).