N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine

C12H17N3O — CID 106757976

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccnn1C
InChIInChI=1S/C12H17N3O/c1-9(11-6-7-13-15(11)3)14-10(2)12-5-4-8-16-12/h4-10,14H,1-3H3/t9?,10-/m1/s1
InChIKeyZZHNUXDVVXFKRB-QVDQXJPCSA-N
MW219.29 g/mol
LogP2.42
Rot. Bonds4

About N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine

N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 106757976) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
PubChem CID106757976
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
SMILESCC(N[C@H](C)c1ccco1)c1ccnn1C
InChIInChI=1S/C12H17N3O/c1-9(11-6-7-13-15(11)3)14-10(2)12-5-4-8-16-12/h4-10,14H,1-3H3/t9?,10-/m1/s1
InChIKeyZZHNUXDVVXFKRB-QVDQXJPCSA-N
XLogP2.42
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965
1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
N-[(1R)-1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81403686
(1S)-N-[1-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 81405518
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 106757421
1-N,1-N-dimethyl-3-N-[1-(2-methylpyrazol-3-yl)ethyl]butane-1,3-diamine
CID 106757702
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine (CID 106757976) is N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine is CC(N[C@H](C)c1ccco1)c1ccnn1C.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is ZZHNUXDVVXFKRB-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(11-6-7-13-15(11)3)14-10(2)12-5-4-8-16-12/h4-10,14H,1-3H3/t9?,10-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine?
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 219.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 106757976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).