4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol

C16H15N3O — CID 43733257

IUPAC4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H15N3O/c20-15-7-1-12(2-8-15)11-17-14-5-3-13(4-6-14)16-9-10-18-19-16/h1-10,17,20H,11H2,(H,18,19)
InChIKeyQURWPSCOMBSDQC-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.39
Rot. Bonds4

About 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol

4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol (PubChem CID 43733257) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
PubChem CID43733257
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(-c3ccn[nH]3)cc2)cc1
InChIInChI=1S/C16H15N3O/c20-15-7-1-12(2-8-15)11-17-14-5-3-13(4-6-14)16-9-10-18-19-16/h1-10,17,20H,11H2,(H,18,19)
InChIKeyQURWPSCOMBSDQC-UHFFFAOYSA-N
XLogP3.39
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
N-[(3-bromophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 43733262
N-[(3-chloro-5-fluorophenyl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 114452531
4-(1H-pyrazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62329569
N-(2,2-dimethylpropyl)-4-(1H-pyrazol-5-yl)aniline
CID 61324337
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
4-(1H-pyrazol-5-yl)-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759823
N-[(3-propylimidazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)aniline
CID 66130745
2,2-dimethyl-3-[4-(1H-pyrazol-5-yl)anilino]propan-1-ol
CID 81412237
6-fluoro-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 106194086
1-amino-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]cyclopentane-1-carboxamide
CID 61239452
4-(benzylamino)phenol;hydrochloride
CID 16738613

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol?
The IUPAC name of 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol (CID 43733257) is 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol.
What is the SMILES notation for 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol?
The canonical SMILES for 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol is Oc1ccc(CNc2ccc(-c3ccn[nH]3)cc2)cc1.
What is the InChIKey of 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol?
The InChIKey is QURWPSCOMBSDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c20-15-7-1-12(2-8-15)11-17-14-5-3-13(4-6-14)16-9-10-18-19-16/h1-10,17,20H,11H2,(H,18,19).
What are the key properties of 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol?
4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol has a molecular weight of 265.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(1H-pyrazol-5-yl)anilino]methyl]phenol is sourced from PubChem (CID 43733257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).