N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine

C16H21N5O — CID 131943588

IUPACN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
SMILESCC(C)Cn1cncc1CNCc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H21N5O/c1-12(2)10-21-11-18-8-13(21)7-17-9-14-3-4-16(22-14)15-5-6-19-20-15/h3-6,8,11-12,17H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyALJWNZRUZZMVPI-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.81
Rot. Bonds7

About N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine

N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine (PubChem CID 131943588) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine.

Molecular Properties

Compound NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
PubChem CID131943588
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
SMILESCC(C)Cn1cncc1CNCc1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C16H21N5O/c1-12(2)10-21-11-18-8-13(21)7-17-9-14-3-4-16(22-14)15-5-6-19-20-15/h3-6,8,11-12,17H,7,9-10H2,1-2H3,(H,19,20)
InChIKeyALJWNZRUZZMVPI-UHFFFAOYSA-N
XLogP2.81
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The IUPAC name of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine (CID 131943588) is N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine.
What is the SMILES notation for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The canonical SMILES for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine is CC(C)Cn1cncc1CNCc1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
The InChIKey is ALJWNZRUZZMVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12(2)10-21-11-18-8-13(21)7-17-9-14-3-4-16(22-14)15-5-6-19-20-15/h3-6,8,11-12,17H,7,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine?
N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine has a molecular weight of 299.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine is sourced from PubChem (CID 131943588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).