N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide

C13H22N4O — CID 63258060

IUPACN-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2N)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-10(8-15-17(9)2)13(18)16-12-7-5-3-4-6-11(12)14/h8,11-12H,3-7,14H2,1-2H3,(H,16,18)
InChIKeyRGQNIECUMZYLNG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.12
Rot. Bonds2

About N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 63258060) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID63258060
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2N)cnn1C
InChIInChI=1S/C13H22N4O/c1-9-10(8-15-17(9)2)13(18)16-12-7-5-3-4-6-11(12)14/h8,11-12H,3-7,14H2,1-2H3,(H,16,18)
InChIKeyRGQNIECUMZYLNG-UHFFFAOYSA-N
XLogP1.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide (CID 63258060) is N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCCCCC2N)cnn1C.
What is the InChIKey of N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is RGQNIECUMZYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-10(8-15-17(9)2)13(18)16-12-7-5-3-4-6-11(12)14/h8,11-12H,3-7,14H2,1-2H3,(H,16,18).
What are the key properties of N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 63258060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).