(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol

C10H9F2N3O — CID 65361938

IUPAC(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol
SMILESNc1[nH]ncc1C(O)c1c(F)cccc1F
InChIInChI=1S/C10H9F2N3O/c11-6-2-1-3-7(12)8(6)9(16)5-4-14-15-10(5)13/h1-4,9,16H,(H3,13,14,15)
InChIKeyMVCRHAIGNMDTCS-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.35
Rot. Bonds2

About (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol

(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol (PubChem CID 65361938) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol
PubChem CID65361938
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol
SMILESNc1[nH]ncc1C(O)c1c(F)cccc1F
InChIInChI=1S/C10H9F2N3O/c11-6-2-1-3-7(12)8(6)9(16)5-4-14-15-10(5)13/h1-4,9,16H,(H3,13,14,15)
InChIKeyMVCRHAIGNMDTCS-UHFFFAOYSA-N
XLogP1.35
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-amino-1H-pyrazol-4-yl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395395
(5-amino-1H-pyrazol-4-yl)-[4-(trifluoromethyl)phenyl]methanol
CID 65362208
(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
CID 65362475
(R)-(2-amino-3-methoxyphenyl)-(2,6-difluorophenyl)methanol
CID 124565399
(5-amino-1H-pyrazol-4-yl)-(2-methylpyrazol-3-yl)methanol
CID 65362468
(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
CID 114885595
4-(2-bromo-6-fluorophenyl)-1H-pyrazol-5-amine
CID 117393162
1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
CID 65361725
4-[(4-fluorophenyl)-hydrazinylmethyl]-1H-pyrazol-5-amine
CID 105231191
1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
CID 171861448
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
1-(5-amino-1H-pyrazol-4-yl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 65361780

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol (CID 65361938) is (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol is Nc1[nH]ncc1C(O)c1c(F)cccc1F.
What is the InChIKey of (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol?
The InChIKey is MVCRHAIGNMDTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c11-6-2-1-3-7(12)8(6)9(16)5-4-14-15-10(5)13/h1-4,9,16H,(H3,13,14,15).
What are the key properties of (5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol?
(5-amino-1H-pyrazol-4-yl)-(2,6-difluorophenyl)methanol has a molecular weight of 225.20 g/mol, XLogP of 1.35, 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)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 65361938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).