N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine

C12H17N3O — CID 79778928

IUPACN-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine
SMILESCCC(NC)c1ccc(-c2cnn(C)c2)o1
InChIInChI=1S/C12H17N3O/c1-4-10(13-2)12-6-5-11(16-12)9-7-14-15(3)8-9/h5-8,10,13H,4H2,1-3H3
InChIKeyKVBRYVCEGGWWSL-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.35
Rot. Bonds4

About N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine

N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine (PubChem CID 79778928) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine
PubChem CID79778928
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine
SMILESCCC(NC)c1ccc(-c2cnn(C)c2)o1
InChIInChI=1S/C12H17N3O/c1-4-10(13-2)12-6-5-11(16-12)9-7-14-15(3)8-9/h5-8,10,13H,4H2,1-3H3
InChIKeyKVBRYVCEGGWWSL-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-2-amine
CID 79778231
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 107577112
1-[5-(3-iodo-4-methylphenyl)furan-2-yl]-N-methylpropan-1-amine
CID 114257852
N-[[5-(1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 79778825
N-methyl-6-[1-(methylamino)propyl]-N-[(1-methylpyrazol-4-yl)methyl]pyridin-3-amine
CID 115939368
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
1-[5-(2,4-difluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 55097922
1-[5-(5-chloro-2-fluorophenyl)furan-2-yl]-N-methylpropan-1-amine
CID 62633115
N-methyl-3-[5-(1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]propan-1-amine
CID 65187194
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]ethanamine
CID 61033157
N-methyl-3-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65197557
N-[1-(5-chlorofuran-2-yl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 106691620

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine (CID 79778928) is N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine is CCC(NC)c1ccc(-c2cnn(C)c2)o1.
What is the InChIKey of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine?
The InChIKey is KVBRYVCEGGWWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-4-10(13-2)12-6-5-11(16-12)9-7-14-15(3)8-9/h5-8,10,13H,4H2,1-3H3.
What are the key properties of N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine?
N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(1-methylpyrazol-4-yl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 79778928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).