4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide

C14H22N4O — CID 66123047

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCC2CC3CCC2C3)c1N
InChIInChI=1S/C14H22N4O/c1-8-12(15)13(18(2)17-8)14(19)16-7-11-6-9-3-4-10(11)5-9/h9-11H,3-7,15H2,1-2H3,(H,16,19)
InChIKeyHUBLVUNGVAYYPM-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.48
Rot. Bonds3

About 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66123047) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66123047
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCC2CC3CCC2C3)c1N
InChIInChI=1S/C14H22N4O/c1-8-12(15)13(18(2)17-8)14(19)16-7-11-6-9-3-4-10(11)5-9/h9-11H,3-7,15H2,1-2H3,(H,16,19)
InChIKeyHUBLVUNGVAYYPM-UHFFFAOYSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66123047) is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCC2CC3CCC2C3)c1N.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is HUBLVUNGVAYYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-8-12(15)13(18(2)17-8)14(19)16-7-11-6-9-3-4-10(11)5-9/h9-11H,3-7,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66123047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).