1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

C12H17N3O — CID 106209160

IUPAC1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1cn[nH]c1
InChIInChI=1S/C12H17N3O/c1-9(6-12-4-3-5-16-12)15-10(2)11-7-13-14-8-11/h3-5,7-10,15H,6H2,1-2H3,(H,13,14)
InChIKeyPKSMWEDLCBJKES-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.28
Rot. Bonds5

About 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine

1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine (PubChem CID 106209160) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
PubChem CID106209160
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine
SMILESCC(Cc1ccco1)NC(C)c1cn[nH]c1
InChIInChI=1S/C12H17N3O/c1-9(6-12-4-3-5-16-12)15-10(2)11-7-13-14-8-11/h3-5,7-10,15H,6H2,1-2H3,(H,13,14)
InChIKeyPKSMWEDLCBJKES-UHFFFAOYSA-N
XLogP2.28
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 81352005
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
1-(furan-2-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propan-2-amine
CID 43692929
N-[1-(1H-pyrazol-4-yl)ethyl]butan-2-amine
CID 103905105
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
2-[1-(furan-2-yl)propan-2-ylamino]-3-methoxypropan-1-ol
CID 106186826
N-[1-(2,3-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 103924689
1-(furan-2-yl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 43783208
1-(furan-2-yl)-N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 82237956

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine (CID 106209160) is 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine is CC(Cc1ccco1)NC(C)c1cn[nH]c1.
What is the InChIKey of 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
The InChIKey is PKSMWEDLCBJKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(6-12-4-3-5-16-12)15-10(2)11-7-13-14-8-11/h3-5,7-10,15H,6H2,1-2H3,(H,13,14).
What are the key properties of 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine?
1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-[1-(1H-pyrazol-4-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106209160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).