4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide

C13H20N4O — CID 63687345

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CC3CCC2C3)c1N
InChIInChI=1S/C13H20N4O/c1-7-11(14)12(17-16-7)13(18)15-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyZPQBDUIKVSZXLW-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.47
Rot. Bonds3

About 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide (PubChem CID 63687345) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
PubChem CID63687345
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCC2CC3CCC2C3)c1N
InChIInChI=1S/C13H20N4O/c1-7-11(14)12(17-16-7)13(18)15-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6,14H2,1H3,(H,15,18)(H,16,17)
InChIKeyZPQBDUIKVSZXLW-UHFFFAOYSA-N
XLogP1.47
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66123047
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436
4-amino-5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-3-carboxamide
CID 79354725
4-amino-5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62082129
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpyridine-3-carboxamide
CID 63687718
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082092
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63688273
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717899
4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-N-(2,2-dimethylpropyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62080909
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 98755984

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide (CID 63687345) is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCC2CC3CCC2C3)c1N.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is ZPQBDUIKVSZXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-7-11(14)12(17-16-7)13(18)15-6-10-5-8-2-3-9(10)4-8/h8-10H,2-6,14H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63687345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).