N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide

C11H18N4O — CID 119615000

IUPACN-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CN)C2CC2)nn1C
InChIInChI=1S/C11H18N4O/c1-7-5-9(14-15(7)2)11(16)13-10(6-12)8-3-4-8/h5,8,10H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeyOTARTFGGEJPORU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.20
Rot. Bonds4

About N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide

N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 119615000) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
PubChem CID119615000
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(CN)C2CC2)nn1C
InChIInChI=1S/C11H18N4O/c1-7-5-9(14-15(7)2)11(16)13-10(6-12)8-3-4-8/h5,8,10H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeyOTARTFGGEJPORU-UHFFFAOYSA-N
XLogP0.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide (CID 119615000) is N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(CN)C2CC2)nn1C.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OTARTFGGEJPORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-5-9(14-15(7)2)11(16)13-10(6-12)8-3-4-8/h5,8,10H,3-4,6,12H2,1-2H3,(H,13,16).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide?
N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 119615000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).