1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine

C13H19N3O — CID 50966071

IUPAC1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)Cc2ccoc2)[nH]n1
InChIInChI=1S/C13H19N3O/c1-3-4-12-7-13(15-14-12)9-16(2)8-11-5-6-17-10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyVLWWBVPNFGRTIU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.59
Rot. Bonds6

About 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine

1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine (PubChem CID 50966071) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
PubChem CID50966071
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCCCc1cc(CN(C)Cc2ccoc2)[nH]n1
InChIInChI=1S/C13H19N3O/c1-3-4-12-7-13(15-14-12)9-16(2)8-11-5-6-17-10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,15)
InChIKeyVLWWBVPNFGRTIU-UHFFFAOYSA-N
XLogP2.59
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine (CID 50966071) is 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine is CCCc1cc(CN(C)Cc2ccoc2)[nH]n1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
The InChIKey is VLWWBVPNFGRTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-4-12-7-13(15-14-12)9-16(2)8-11-5-6-17-10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H,14,15).
What are the key properties of 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine?
1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine has a molecular weight of 233.31 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 50966071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).