N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide

C14H22N6O — CID 71877041

IUPACN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(CCC#N)n1
InChIInChI=1S/C14H22N6O/c1-11-9-13(20(17-11)6-4-5-15)16-14(21)19-8-7-18(3)10-12(19)2/h9,12H,4,6-8,10H2,1-3H3,(H,16,21)
InChIKeyMSNUKSUYHOOFJB-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.27
Rot. Bonds3

About N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide

N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide (PubChem CID 71877041) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide
PubChem CID71877041
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC NameN-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(C)CC2C)n(CCC#N)n1
InChIInChI=1S/C14H22N6O/c1-11-9-13(20(17-11)6-4-5-15)16-14(21)19-8-7-18(3)10-12(19)2/h9,12H,4,6-8,10H2,1-3H3,(H,16,21)
InChIKeyMSNUKSUYHOOFJB-UHFFFAOYSA-N
XLogP1.27
TPSA77.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide (CID 71877041) is N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(C)CC2C)n(CCC#N)n1.
What is the InChIKey of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide?
The InChIKey is MSNUKSUYHOOFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11-9-13(20(17-11)6-4-5-15)16-14(21)19-8-7-18(3)10-12(19)2/h9,12H,4,6-8,10H2,1-3H3,(H,16,21).
What are the key properties of N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide?
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71877041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).