1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide

C12H18N6O — CID 64782143

IUPAC1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2c(CCN)c(C)nn2C)n1
InChIInChI=1S/C12H18N6O/c1-8-9(4-6-13)12(17(3)15-8)18-7-5-10(16-18)11(19)14-2/h5,7H,4,6,13H2,1-3H3,(H,14,19)
InChIKeyKZEHWXWRDRCKCE-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.22
Rot. Bonds4

About 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide

1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 64782143) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide
PubChem CID64782143
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2c(CCN)c(C)nn2C)n1
InChIInChI=1S/C12H18N6O/c1-8-9(4-6-13)12(17(3)15-8)18-7-5-10(16-18)11(19)14-2/h5,7H,4,6,13H2,1-3H3,(H,14,19)
InChIKeyKZEHWXWRDRCKCE-UHFFFAOYSA-N
XLogP-0.22
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide (CID 64782143) is 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2c(CCN)c(C)nn2C)n1.
What is the InChIKey of 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is KZEHWXWRDRCKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-9(4-6-13)12(17(3)15-8)18-7-5-10(16-18)11(19)14-2/h5,7H,4,6,13H2,1-3H3,(H,14,19).
What are the key properties of 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide?
1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)-1,3-dimethylpyrazol-5-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64782143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).