(5-amino-1H-pyrazol-4-yl)-phenylmethanol

C10H11N3O — CID 65362161

IUPAC(5-amino-1H-pyrazol-4-yl)-phenylmethanol
SMILESNc1[nH]ncc1C(O)c1ccccc1
InChIInChI=1S/C10H11N3O/c11-10-8(6-12-13-10)9(14)7-4-2-1-3-5-7/h1-6,9,14H,(H3,11,12,13)
InChIKeyYPZSNVMFZAEMTA-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.07
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-phenylmethanol

(5-amino-1H-pyrazol-4-yl)-phenylmethanol (PubChem CID 65362161) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-phenylmethanol
PubChem CID65362161
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(5-amino-1H-pyrazol-4-yl)-phenylmethanol
SMILESNc1[nH]ncc1C(O)c1ccccc1
InChIInChI=1S/C10H11N3O/c11-10-8(6-12-13-10)9(14)7-4-2-1-3-5-7/h1-6,9,14H,(H3,11,12,13)
InChIKeyYPZSNVMFZAEMTA-UHFFFAOYSA-N
XLogP1.07
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-phenylmethanol?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-phenylmethanol (CID 65362161) is (5-amino-1H-pyrazol-4-yl)-phenylmethanol.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-phenylmethanol?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-phenylmethanol is Nc1[nH]ncc1C(O)c1ccccc1.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-phenylmethanol?
The InChIKey is YPZSNVMFZAEMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10-8(6-12-13-10)9(14)7-4-2-1-3-5-7/h1-6,9,14H,(H3,11,12,13).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-phenylmethanol?
(5-amino-1H-pyrazol-4-yl)-phenylmethanol has a molecular weight of 189.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-pyrazol-4-yl)-phenylmethanol is sourced from PubChem (CID 65362161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).