N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine

C15H25N3 — CID 114094602

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)cc1NCC1CC2CCC1C2
InChIInChI=1S/C15H25N3/c1-10(2)15-14(9-18(3)17-15)16-8-13-7-11-4-5-12(13)6-11/h9-13,16H,4-8H2,1-3H3
InChIKeyUNUOYAJHMIWNBC-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.39
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 114094602) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
PubChem CID114094602
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)c1nn(C)cc1NCC1CC2CCC1C2
InChIInChI=1S/C15H25N3/c1-10(2)15-14(9-18(3)17-15)16-8-13-7-11-4-5-12(13)6-11/h9-13,16H,4-8H2,1-3H3
InChIKeyUNUOYAJHMIWNBC-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine
CID 114094606
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylaniline
CID 79554012
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-tert-butylaniline
CID 79551827
1-(2-bicyclo[2.2.1]heptanyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63002159
1-methyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazol-4-amine
CID 114094591
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-cyclopropyl-4-methylimidazol-2-amine
CID 106572484
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylbenzene-1,2-diamine
CID 63689970
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-4-methylaniline
CID 79554507
N-(2-bicyclo[2.2.1]heptanyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115923170
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloro-3-methylaniline
CID 114252026
5-(2-bicyclo[2.2.1]heptanylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757854
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,4-difluoroaniline
CID 79554182

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine (CID 114094602) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine is CC(C)c1nn(C)cc1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
The InChIKey is UNUOYAJHMIWNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-10(2)15-14(9-18(3)17-15)16-8-13-7-11-4-5-12(13)6-11/h9-13,16H,4-8H2,1-3H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 247.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 114094602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).