N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine

C14H23N3 — CID 60810473

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CCC3CCCCC3C2)n1
InChIInChI=1S/C14H23N3/c1-17-9-8-14(16-17)15-13-7-6-11-4-2-3-5-12(11)10-13/h8-9,11-13H,2-7,10H2,1H3,(H,15,16)
InChIKeyNRSQCWKQWYNFJF-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.19
Rot. Bonds2

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine (PubChem CID 60810473) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine
PubChem CID60810473
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NC2CCC3CCCCC3C2)n1
InChIInChI=1S/C14H23N3/c1-17-9-8-14(16-17)15-13-7-6-11-4-2-3-5-12(11)10-13/h8-9,11-13H,2-7,10H2,1H3,(H,15,16)
InChIKeyNRSQCWKQWYNFJF-UHFFFAOYSA-N
XLogP3.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine (CID 60810473) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine is Cn1ccc(NC2CCC3CCCCC3C2)n1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine?
The InChIKey is NRSQCWKQWYNFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-17-9-8-14(16-17)15-13-7-6-11-4-2-3-5-12(11)10-13/h8-9,11-13H,2-7,10H2,1H3,(H,15,16).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine has a molecular weight of 233.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 60810473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).