N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine

C11H17N3O — CID 62066529

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCC1CCC=CO1
InChIInChI=1S/C11H17N3O/c1-8-11(9(2)14-13-8)12-7-10-5-3-4-6-15-10/h4,6,10,12H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyAYJVHNRCMTYKOE-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.13
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 62066529) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
PubChem CID62066529
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine
SMILESCc1n[nH]c(C)c1NCC1CCC=CO1
InChIInChI=1S/C11H17N3O/c1-8-11(9(2)14-13-8)12-7-10-5-3-4-6-15-10/h4,6,10,12H,3,5,7H2,1-2H3,(H,13,14)
InChIKeyAYJVHNRCMTYKOE-UHFFFAOYSA-N
XLogP2.13
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine (CID 62066529) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine is Cc1n[nH]c(C)c1NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is AYJVHNRCMTYKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-11(9(2)14-13-8)12-7-10-5-3-4-6-15-10/h4,6,10,12H,3,5,7H2,1-2H3,(H,13,14).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 207.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 62066529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).