N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

C12H17N3O — CID 43645072

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1n[nH]c(C)c1CNC(C)c1ccco1
InChIInChI=1S/C12H17N3O/c1-8-11(9(2)15-14-8)7-13-10(3)12-5-4-6-16-12/h4-6,10,13H,7H2,1-3H3,(H,14,15)
InChIKeyIAVNEWYROZLANZ-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.47
Rot. Bonds4

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (PubChem CID 43645072) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
PubChem CID43645072
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine
SMILESCc1n[nH]c(C)c1CNC(C)c1ccco1
InChIInChI=1S/C12H17N3O/c1-8-11(9(2)15-14-8)7-13-10(3)12-5-4-6-16-12/h4-6,10,13H,7H2,1-3H3,(H,14,15)
InChIKeyIAVNEWYROZLANZ-UHFFFAOYSA-N
XLogP2.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43644966
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43685440
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735003
(1S)-1-(furan-2-yl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81403640
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860866
(1R)-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81400388
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1S)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914769
1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 103605606
(1R)-1-(furan-2-yl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 107914770

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine (CID 43645072) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is Cc1n[nH]c(C)c1CNC(C)c1ccco1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
The InChIKey is IAVNEWYROZLANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-11(9(2)15-14-8)7-13-10(3)12-5-4-6-16-12/h4-6,10,13H,7H2,1-3H3,(H,14,15).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 43645072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).