N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine

C11H17N3 — CID 98119478

IUPACN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine
SMILESCn1cc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cn1
InChIInChI=1S/C11H17N3/c1-14-7-10(6-12-14)13-11-5-8-2-3-9(11)4-8/h6-9,11,13H,2-5H2,1H3/t8-,9-,11+/m1/s1
InChIKeyDDUCCLXOYUHCCR-KKZNHRDASA-N
MW191.28 g/mol
LogP2.02
Rot. Bonds2

About N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine

N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine (PubChem CID 98119478) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine
PubChem CID98119478
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine
SMILESCn1cc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cn1
InChIInChI=1S/C11H17N3/c1-14-7-10(6-12-14)13-11-5-8-2-3-9(11)4-8/h6-9,11,13H,2-5H2,1H3/t8-,9-,11+/m1/s1
InChIKeyDDUCCLXOYUHCCR-KKZNHRDASA-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-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine?
The IUPAC name of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine (CID 98119478) is N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine?
The canonical SMILES for N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine is Cn1cc(N[C@H]2C[C@@H]3CC[C@@H]2C3)cn1.
What is the InChIKey of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine?
The InChIKey is DDUCCLXOYUHCCR-KKZNHRDASA-N. The full InChI is InChI=1S/C11H17N3/c1-14-7-10(6-12-14)13-11-5-8-2-3-9(11)4-8/h6-9,11,13H,2-5H2,1H3/t8-,9-,11+/m1/s1.
What are the key properties of N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine?
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-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-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 98119478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).