N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine

C11H17N3 — CID 61308997

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CC3CCC2C3)n1
InChIInChI=1S/C11H17N3/c1-14-5-4-11(13-14)12-10-7-8-2-3-9(10)6-8/h4-5,8-10H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyXSNDBKKCQWMPEE-UHFFFAOYSA-N
MW191.28 g/mol
LogP2.02
Rot. Bonds2

About N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine (PubChem CID 61308997) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine
PubChem CID61308997
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CC3CCC2C3)n1
InChIInChI=1S/C11H17N3/c1-14-5-4-11(13-14)12-10-7-8-2-3-9(10)6-8/h4-5,8-10H,2-3,6-7H2,1H3,(H,12,13)
InChIKeyXSNDBKKCQWMPEE-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine (CID 61308997) is N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine is Cn1ccc(NC2CC3CCC2C3)n1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine?
The InChIKey is XSNDBKKCQWMPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-14-5-4-11(13-14)12-10-7-8-2-3-9(10)6-8/h4-5,8-10H,2-3,6-7H2,1H3,(H,12,13).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrazol-3-amine has a molecular weight of 191.28 g/mol, XLogP of 2.02, 2 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]heptanyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 61308997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).