N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine

C15H25N5 — CID 122555876

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCCn1ncc(CNC(C)CCn2ccnc2C)c1C
InChIInChI=1S/C15H25N5/c1-5-20-13(3)15(11-18-20)10-17-12(2)6-8-19-9-7-16-14(19)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3
InChIKeyAMOPVYZHOUXPGZ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds7

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine (PubChem CID 122555876) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
PubChem CID122555876
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine
SMILESCCn1ncc(CNC(C)CCn2ccnc2C)c1C
InChIInChI=1S/C15H25N5/c1-5-20-13(3)15(11-18-20)10-17-12(2)6-8-19-9-7-16-14(19)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3
InChIKeyAMOPVYZHOUXPGZ-UHFFFAOYSA-N
XLogP2.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine (CID 122555876) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine is CCn1ncc(CNC(C)CCn2ccnc2C)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
The InChIKey is AMOPVYZHOUXPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-20-13(3)15(11-18-20)10-17-12(2)6-8-19-9-7-16-14(19)4/h7,9,11-12,17H,5-6,8,10H2,1-4H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-4-(2-methylimidazol-1-yl)butan-2-amine is sourced from PubChem (CID 122555876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).