N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine

C16H23N3O — CID 106889049

IUPACN-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCCc1nn(C)c(CC)c1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C16H23N3O/c1-4-13-16(14(5-2)19(3)18-13)15-9-8-12(20-15)10-17-11-6-7-11/h8-9,11,17H,4-7,10H2,1-3H3
InChIKeyFWFDGEGOFSBHTJ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.06
Rot. Bonds6

About N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106889049) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106889049
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
SMILESCCc1nn(C)c(CC)c1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C16H23N3O/c1-4-13-16(14(5-2)19(3)18-13)15-9-8-12(20-15)10-17-11-6-7-11/h8-9,11,17H,4-7,10H2,1-3H3
InChIKeyFWFDGEGOFSBHTJ-UHFFFAOYSA-N
XLogP3.06
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
N-[[5-(1-methylimidazol-2-yl)furan-2-yl]methyl]cyclopropanamine
CID 106887299
N-[[5-(1-methyl-3-propan-2-ylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106888858
4-(3,5-diethyl-1-methylpyrazol-4-yl)-2-methylaniline
CID 82702746
N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(6-methoxy-3-pyridinyl)furan-2-yl]methyl]cyclopropanamine
CID 106886973
N-[[5-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methyl]cyclopropanamine
CID 107464336
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 114545716
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
N-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62440129
N-[(5-ethylfuran-2-yl)methyl]-1-methylpyrrolidin-3-amine
CID 62344751

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine (CID 106889049) is N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is CCc1nn(C)c(CC)c1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is FWFDGEGOFSBHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-4-13-16(14(5-2)19(3)18-13)15-9-8-12(20-15)10-17-11-6-7-11/h8-9,11,17H,4-7,10H2,1-3H3.
What are the key properties of N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 273.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106889049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).