1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine

C13H21N3 — CID 170396241

IUPAC1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCC2C[C@@H]3CC[C@]2(C)C3)n1
InChIInChI=1S/C13H21N3/c1-13-5-3-10(8-13)7-11(13)9-14-12-4-6-16(2)15-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,14,15)/t10-,11?,13+/m0/s1
InChIKeyOOCIYCRCXQOMRP-CCQDYZPNSA-N
MW219.33 g/mol
LogP2.66
Rot. Bonds3

About 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine

1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine (PubChem CID 170396241) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine
PubChem CID170396241
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine
SMILESCn1ccc(NCC2C[C@@H]3CC[C@]2(C)C3)n1
InChIInChI=1S/C13H21N3/c1-13-5-3-10(8-13)7-11(13)9-14-12-4-6-16(2)15-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,14,15)/t10-,11?,13+/m0/s1
InChIKeyOOCIYCRCXQOMRP-CCQDYZPNSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine (CID 170396241) is 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine is Cn1ccc(NCC2C[C@@H]3CC[C@]2(C)C3)n1.
What is the InChIKey of 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine?
The InChIKey is OOCIYCRCXQOMRP-CCQDYZPNSA-N. The full InChI is InChI=1S/C13H21N3/c1-13-5-3-10(8-13)7-11(13)9-14-12-4-6-16(2)15-12/h4,6,10-11H,3,5,7-9H2,1-2H3,(H,14,15)/t10-,11?,13+/m0/s1.
What are the key properties of 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine?
1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine has a molecular weight of 219.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(1R,4S)-1-methyl-2-bicyclo[2.2.1]heptanyl]methyl]pyrazol-3-amine is sourced from PubChem (CID 170396241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).