2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol

C12H16N4O — CID 136934476

IUPAC2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
SMILESCn1ncc(NCCN)c1-c1ccccc1O
InChIInChI=1S/C12H16N4O/c1-16-12(9-4-2-3-5-11(9)17)10(8-15-16)14-7-6-13/h2-5,8,14,17H,6-7,13H2,1H3
InChIKeyDYLVTXWUIKLQMZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds4

About 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol

2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol (PubChem CID 136934476) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
PubChem CID136934476
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
SMILESCn1ncc(NCCN)c1-c1ccccc1O
InChIInChI=1S/C12H16N4O/c1-16-12(9-4-2-3-5-11(9)17)10(8-15-16)14-7-6-13/h2-5,8,14,17H,6-7,13H2,1H3
InChIKeyDYLVTXWUIKLQMZ-UHFFFAOYSA-N
XLogP1.16
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol
CID 117210212
N'-[1-methyl-5-(4-methylphenyl)pyrazol-4-yl]ethane-1,2-diamine
CID 117210259
2-[1-methyl-4-(methylaminomethyl)pyrazol-5-yl]phenol
CID 136758054
2-[5-(2-aminoethylamino)pyrimidin-4-yl]phenol
CID 136934491
N'-[5-[(2-bromophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210339
2-[5-(2-aminoethylamino)-2-ethylpyrimidin-4-yl]phenol
CID 136934549
2-[5-(2-aminoethylamino)pyrimidin-2-yl]phenol
CID 136934611
2-(4-isocyanato-1-methylpyrazol-5-yl)phenol
CID 136934483
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
N'-[1-methyl-5-[(3-methylphenyl)methyl]pyrazol-4-yl]ethane-1,2-diamine
CID 117210311
N'-[5-[(3-chlorophenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210313
N'-[5-[(3-methoxyphenyl)methyl]-1-methylpyrazol-4-yl]ethane-1,2-diamine
CID 117210316

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
The IUPAC name of 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol (CID 136934476) is 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol is Cn1ncc(NCCN)c1-c1ccccc1O.
What is the InChIKey of 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
The InChIKey is DYLVTXWUIKLQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-12(9-4-2-3-5-11(9)17)10(8-15-16)14-7-6-13/h2-5,8,14,17H,6-7,13H2,1H3.
What are the key properties of 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol?
2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol has a molecular weight of 232.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethylamino)-1-methylpyrazol-5-yl]phenol is sourced from PubChem (CID 136934476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).