4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol

C13H15N5O — CID 12763860

IUPAC4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol
SMILESCc1cc(NC2=NCCN2)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H15N5O/c1-9-8-12(16-13-14-6-7-15-13)18(17-9)10-2-4-11(19)5-3-10/h2-5,8,19H,6-7H2,1H3,(H2,14,15,16)
InChIKeyIHPYMYNDFCVWDV-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.26
Rot. Bonds2

About 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol

4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol (PubChem CID 12763860) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol
PubChem CID12763860
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol
SMILESCc1cc(NC2=NCCN2)n(-c2ccc(O)cc2)n1
InChIInChI=1S/C13H15N5O/c1-9-8-12(16-13-14-6-7-15-13)18(17-9)10-2-4-11(19)5-3-10/h2-5,8,19H,6-7H2,1H3,(H2,14,15,16)
InChIKeyIHPYMYNDFCVWDV-UHFFFAOYSA-N
XLogP1.26
TPSA74.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol?
The IUPAC name of 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol (CID 12763860) is 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol?
The canonical SMILES for 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol is Cc1cc(NC2=NCCN2)n(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol?
The InChIKey is IHPYMYNDFCVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-8-12(16-13-14-6-7-15-13)18(17-9)10-2-4-11(19)5-3-10/h2-5,8,19H,6-7H2,1H3,(H2,14,15,16).
What are the key properties of 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol?
4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol has a molecular weight of 257.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methylpyrazol-1-yl]phenol is sourced from PubChem (CID 12763860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).