(2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide

C17H27N7O — CID 97251596

IUPAC(2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(Cc2ccn(C)n2)CCN1Cc1ccn(C)n1
InChIInChI=1S/C17H27N7O/c1-20(2)17(25)16-13-23(11-14-5-7-21(3)18-14)9-10-24(16)12-15-6-8-22(4)19-15/h5-8,16H,9-13H2,1-4H3/t16-/m0/s1
InChIKeyPJMWYMAFNOYUTI-INIZCTEOSA-N
MW345.45 g/mol
LogP-0.07
Rot. Bonds5

About (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide

(2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide (PubChem CID 97251596) has the molecular formula C17H27N7O and a molecular weight of 345.45 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
PubChem CID97251596
Molecular FormulaC17H27N7O
Molecular Weight345.45 g/mol
Exact Mass345.23
IUPAC Name(2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1CN(Cc2ccn(C)n2)CCN1Cc1ccn(C)n1
InChIInChI=1S/C17H27N7O/c1-20(2)17(25)16-13-23(11-14-5-7-21(3)18-14)9-10-24(16)12-15-6-8-22(4)19-15/h5-8,16H,9-13H2,1-4H3/t16-/m0/s1
InChIKeyPJMWYMAFNOYUTI-INIZCTEOSA-N
XLogP-0.07
TPSA62.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide (CID 97251596) is (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide is CN(C)C(=O)[C@@H]1CN(Cc2ccn(C)n2)CCN1Cc1ccn(C)n1.
What is the InChIKey of (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The InChIKey is PJMWYMAFNOYUTI-INIZCTEOSA-N. The full InChI is InChI=1S/C17H27N7O/c1-20(2)17(25)16-13-23(11-14-5-7-21(3)18-14)9-10-24(16)12-15-6-8-22(4)19-15/h5-8,16H,9-13H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
(2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide has a molecular weight of 345.45 g/mol, XLogP of -0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-1,4-bis[(1-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 97251596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).