4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine

C12H12N4O — CID 117328786

IUPAC4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)c2cc[nH]c12
InChIInChI=1S/C12H12N4O/c1-17-10-3-2-7(8-4-5-14-11(8)10)9-6-15-16-12(9)13/h2-6,14H,1H3,(H3,13,15,16)
InChIKeySRFQSMRKHWCLDI-UHFFFAOYSA-N
MW228.26 g/mol
LogP2.15
Rot. Bonds2

About 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine

4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine (PubChem CID 117328786) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine
PubChem CID117328786
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine
SMILESCOc1ccc(-c2cn[nH]c2N)c2cc[nH]c12
InChIInChI=1S/C12H12N4O/c1-17-10-3-2-7(8-4-5-14-11(8)10)9-6-15-16-12(9)13/h2-6,14H,1H3,(H3,13,15,16)
InChIKeySRFQSMRKHWCLDI-UHFFFAOYSA-N
XLogP2.15
TPSA79.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
7-methoxy-1H-indazol-4-amine
CID 171597914
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
6-(5-amino-1H-pyrazol-4-yl)-2-methoxy-3-methylphenol
CID 117312168
4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117417529
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878

Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine (CID 117328786) is 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine is COc1ccc(-c2cn[nH]c2N)c2cc[nH]c12.
What is the InChIKey of 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine?
The InChIKey is SRFQSMRKHWCLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-17-10-3-2-7(8-4-5-14-11(8)10)9-6-15-16-12(9)13/h2-6,14H,1H3,(H3,13,15,16).
What are the key properties of 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine?
4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine has a molecular weight of 228.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1H-indol-4-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117328786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).