N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

C13H19N3O — CID 83174760

IUPACN-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccn(C)n1
InChIInChI=1S/C13H19N3O/c1-3-7-14-13(10-11-5-4-9-17-11)12-6-8-16(2)15-12/h4-6,8-9,13-14H,3,7,10H2,1-2H3
InChIKeyNFXFBDGKHMUAFF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine

N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (PubChem CID 83174760) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
PubChem CID83174760
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccco1)c1ccn(C)n1
InChIInChI=1S/C13H19N3O/c1-3-7-14-13(10-11-5-4-9-17-11)12-6-8-16(2)15-12/h4-6,8-9,13-14H,3,7,10H2,1-2H3
InChIKeyNFXFBDGKHMUAFF-UHFFFAOYSA-N
XLogP2.30
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N-[2-(furan-2-yl)-1-pyridin-4-ylethyl]propan-1-amine
CID 83175594
N-[2-(furan-2-yl)-1-quinoxalin-2-ylethyl]propan-1-amine
CID 107357381
1-(1-methylpyrazol-3-yl)-N-propylpent-3-yn-1-amine
CID 65198238
N-[2-tert-butylsulfanyl-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103130904
N-[1-(4-bromophenyl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83176193
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpent-4-en-1-amine
CID 114474920
1-(1-methylpyrazol-3-yl)-3-phenoxy-N-propylpropan-1-amine
CID 103130748
N-[2-(2-bromo-5-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65197614
N-[2-(3-chloro-4-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 103040107
4-ethylsulfonyl-1-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 65200338

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine (CID 83174760) is N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is CCCNC(Cc1ccco1)c1ccn(C)n1.
What is the InChIKey of N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
The InChIKey is NFXFBDGKHMUAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-7-14-13(10-11-5-4-9-17-11)12-6-8-16(2)15-12/h4-6,8-9,13-14H,3,7,10H2,1-2H3.
What are the key properties of N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine?
N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 83174760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).