N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine

C12H19N5O — CID 114256729

IUPACN-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine
SMILESCCCCn1ccnc1Nc1cc(OC)n(C)n1
InChIInChI=1S/C12H19N5O/c1-4-5-7-17-8-6-13-12(17)14-10-9-11(18-3)16(2)15-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyFJHXFIIBMXGMPW-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.17
Rot. Bonds6

About N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine

N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine (PubChem CID 114256729) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine
PubChem CID114256729
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine
SMILESCCCCn1ccnc1Nc1cc(OC)n(C)n1
InChIInChI=1S/C12H19N5O/c1-4-5-7-17-8-6-13-12(17)14-10-9-11(18-3)16(2)15-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyFJHXFIIBMXGMPW-UHFFFAOYSA-N
XLogP2.17
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-1-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]pyrazol-3-amine
CID 114256725
1-butyl-N-(2,4-dibromo-5-methoxyphenyl)imidazol-2-amine
CID 106583543
N-(5-bromo-2-methoxyphenyl)-1-butylimidazol-2-amine
CID 106569080
1-methyl-N-(1-propylimidazol-2-yl)pyrazol-3-amine
CID 106562921
N-(4-bromo-3,5-dimethylphenyl)-1-butylimidazol-2-amine
CID 107581491
1-butyl-N-(2-pyrazol-1-ylethyl)imidazol-2-amine
CID 106568584
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-butyl-N-(3-methylphenyl)imidazol-2-amine
CID 106560213
N-(4-bromo-2,6-difluorophenyl)-1-butylimidazol-2-amine
CID 106574076
N-tert-butyl-1-butylimidazol-2-amine
CID 106554804
2-N-ethyl-4-N-(5-methoxy-1-methylpyrazol-3-yl)pyridine-2,4-diamine
CID 114256677
1-butyl-N-(2-ethoxyphenyl)imidazol-2-amine
CID 106583757

Frequently Asked Questions

What is the IUPAC name of N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
The IUPAC name of N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine (CID 114256729) is N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine.
What is the SMILES notation for N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
The canonical SMILES for N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine is CCCCn1ccnc1Nc1cc(OC)n(C)n1.
What is the InChIKey of N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
The InChIKey is FJHXFIIBMXGMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-4-5-7-17-8-6-13-12(17)14-10-9-11(18-3)16(2)15-10/h6,8-9H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine?
N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine has a molecular weight of 249.32 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylimidazol-2-yl)-5-methoxy-1-methylpyrazol-3-amine is sourced from PubChem (CID 114256729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).