3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide

C13H22N4O — CID 75484906

IUPAC3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c(NCC2CCCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-17-9-11(12(14)18)13(16-17)15-8-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,16)
InChIKeyMYHYUVTTYPOXDA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.90
Rot. Bonds4

About 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide

3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide (PubChem CID 75484906) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide
PubChem CID75484906
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(N)=O)c(NCC2CCCCCC2)n1
InChIInChI=1S/C13H22N4O/c1-17-9-11(12(14)18)13(16-17)15-8-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,16)
InChIKeyMYHYUVTTYPOXDA-UHFFFAOYSA-N
XLogP1.90
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide (CID 75484906) is 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide is Cn1cc(C(N)=O)c(NCC2CCCCCC2)n1.
What is the InChIKey of 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide?
The InChIKey is MYHYUVTTYPOXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-17-9-11(12(14)18)13(16-17)15-8-10-6-4-2-3-5-7-10/h9-10H,2-8H2,1H3,(H2,14,18)(H,15,16).
What are the key properties of 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide?
3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethylamino)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75484906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).