N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine

C16H25N3O — CID 106888768

IUPACN-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
SMILESCCCn1nc(C)c(-c2ccc(CNC(C)C)o2)c1C
InChIInChI=1S/C16H25N3O/c1-6-9-19-13(5)16(12(4)18-19)15-8-7-14(20-15)10-17-11(2)3/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyMWNYKPHOOYRKEY-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.67
Rot. Bonds6

About N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine

N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine (PubChem CID 106888768) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
PubChem CID106888768
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine
SMILESCCCn1nc(C)c(-c2ccc(CNC(C)C)o2)c1C
InChIInChI=1S/C16H25N3O/c1-6-9-19-13(5)16(12(4)18-19)15-8-7-14(20-15)10-17-11(2)3/h7-8,11,17H,6,9-10H2,1-5H3
InChIKeyMWNYKPHOOYRKEY-UHFFFAOYSA-N
XLogP3.67
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(Furan-2-ylmethylamino)-2-oxoethyl] 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 2080105
2-[5-(2-furyl)-3-methyl-1H-pyrazol-1-yl]-N-(3-phenylpropyl)acetamide
CID 5308195
N-benzyl-2-[5-(furan-2-yl)-3-methylpyrazol-1-yl]acetamide
CID 6620408
N-cyclopropyl-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16188732
3-{1-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}-N-[(5-methyl-2-furyl)methyl]propanamide
CID 16192319
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-{1-[(5-methyl-2-furyl)methyl]-3-oxopiperazin-2-yl}acetamide
CID 16192234
N-(furan-2-ylmethyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 56780691
N-[[5-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]furan-2-yl]methyl]acetamide
CID 72044185
N-(furan-2-ylmethyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 110220551
N-[2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 9172095
3-(Furan-2-yl)-1-heptyl-5-phenylpyrazole
CID 177650635
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-[5-(2-fluorophenyl)furan-2-yl]methanamine
CID 27657514

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine (CID 106888768) is N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine is CCCn1nc(C)c(-c2ccc(CNC(C)C)o2)c1C.
What is the InChIKey of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is MWNYKPHOOYRKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-6-9-19-13(5)16(12(4)18-19)15-8-7-14(20-15)10-17-11(2)3/h7-8,11,17H,6,9-10H2,1-5H3.
What are the key properties of N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine?
N-[[5-(3,5-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 3.67, 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-dimethyl-1-propylpyrazol-4-yl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 106888768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).