1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine

C15H25N5 — CID 19626376

IUPAC1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cn(CC)nc2C)cc1C
InChIInChI=1S/C15H25N5/c1-5-7-8-20-12(3)9-15(18-20)16-10-14-11-19(6-2)17-13(14)4/h9,11H,5-8,10H2,1-4H3,(H,16,18)
InChIKeySRKIGXWWWYSAGT-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.13
Rot. Bonds7

About 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine

1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine (PubChem CID 19626376) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine
PubChem CID19626376
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cn(CC)nc2C)cc1C
InChIInChI=1S/C15H25N5/c1-5-7-8-20-12(3)9-15(18-20)16-10-14-11-19(6-2)17-13(14)4/h9,11H,5-8,10H2,1-4H3,(H,16,18)
InChIKeySRKIGXWWWYSAGT-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine (CID 19626376) is 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine is CCCCn1nc(NCc2cn(CC)nc2C)cc1C.
What is the InChIKey of 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is SRKIGXWWWYSAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-7-8-20-12(3)9-15(18-20)16-10-14-11-19(6-2)17-13(14)4/h9,11H,5-8,10H2,1-4H3,(H,16,18).
What are the key properties of 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine?
1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 275.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19626376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).