N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine

C10H15N3O — CID 115742288

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCC2=CCCOC2)n1
InChIInChI=1S/C10H15N3O/c1-13-5-4-10(12-13)11-7-9-3-2-6-14-8-9/h3-5H,2,6-8H2,1H3,(H,11,12)
InChIKeyFWXKACJFNVVMQH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.18
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine (PubChem CID 115742288) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine
PubChem CID115742288
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine
SMILESCn1ccc(NCC2=CCCOC2)n1
InChIInChI=1S/C10H15N3O/c1-13-5-4-10(12-13)11-7-9-3-2-6-14-8-9/h3-5H,2,6-8H2,1H3,(H,11,12)
InChIKeyFWXKACJFNVVMQH-UHFFFAOYSA-N
XLogP1.18
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-difluoroethyl)-N-(3,6-dihydro-2H-pyran-5-ylmethyl)pyrazol-3-amine
CID 99620993
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-3-amine
CID 66400028
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-3-amine
CID 131181946
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122167062
1-methyl-N-[[2,4,6-trimethyl-3-[[(1-methylpyrazol-3-yl)amino]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]methyl]phenyl]methyl]pyrazol-3-amine
CID 122206251
N-[(4-iodophenyl)methyl]-1-methylpyrazol-3-amine
CID 79778850
N-[(5-bromothiophen-2-yl)methyl]-1-methylpyrazol-3-amine
CID 60808995
1-methyl-N-(1,2-oxazol-4-ylmethyl)pyrazol-3-amine
CID 139295160
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126966257
N-[(5-fluorothiophen-2-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126964997
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylpyrazol-3-amine
CID 79778271

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine (CID 115742288) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine is Cn1ccc(NCC2=CCCOC2)n1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine?
The InChIKey is FWXKACJFNVVMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-5-4-10(12-13)11-7-9-3-2-6-14-8-9/h3-5H,2,6-8H2,1H3,(H,11,12).
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine has a molecular weight of 193.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 115742288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).