5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide

C10H19N5O — CID 63757522

IUPAC5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(N)CNc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C10H19N5O/c1-4-7(11)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5,11H2,1-3H3,(H2,12,16)
InChIKeyYUOORHQOZOFRJT-UHFFFAOYSA-N
MW225.30 g/mol
LogP-0.02
Rot. Bonds5

About 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide

5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 63757522) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID63757522
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(N)CNc1c(C(N)=O)c(C)nn1C
InChIInChI=1S/C10H19N5O/c1-4-7(11)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5,11H2,1-3H3,(H2,12,16)
InChIKeyYUOORHQOZOFRJT-UHFFFAOYSA-N
XLogP-0.02
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide (CID 63757522) is 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide is CCC(N)CNc1c(C(N)=O)c(C)nn1C.
What is the InChIKey of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is YUOORHQOZOFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O/c1-4-7(11)5-13-10-8(9(12)16)6(2)14-15(10)3/h7,13H,4-5,11H2,1-3H3,(H2,12,16).
What are the key properties of 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide?
5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 225.30 g/mol, XLogP of -0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminobutylamino)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63757522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).