3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol

C9H8ClN3O — CID 154491984

IUPAC3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
SMILESNc1cn[nH]c1-c1cc(O)cc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-6-1-5(2-7(14)3-6)9-8(11)4-12-13-9/h1-4,14H,11H2,(H,12,13)
InChIKeyNVPNZABKBOVBDH-UHFFFAOYSA-N
MW209.64 g/mol
LogP2.02
Rot. Bonds1

About 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol

3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol (PubChem CID 154491984) has the molecular formula C9H8ClN3O and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol.

Molecular Properties

Compound Name3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
PubChem CID154491984
Molecular FormulaC9H8ClN3O
Molecular Weight209.64 g/mol
Exact Mass209.04
IUPAC Name3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
SMILESNc1cn[nH]c1-c1cc(O)cc(Cl)c1
InChIInChI=1S/C9H8ClN3O/c10-6-1-5(2-7(14)3-6)9-8(11)4-12-13-9/h1-4,14H,11H2,(H,12,13)
InChIKeyNVPNZABKBOVBDH-UHFFFAOYSA-N
XLogP2.02
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
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5-(6-chloro-1H-benzimidazol-2-yl)-1H-pyrazol-4-amine
CID 135804671
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanone
CID 118484780
[5-(3,5-dichlorophenyl)-1H-pyrazol-4-yl]-(3,5-difluorophenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?
The IUPAC name of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol (CID 154491984) is 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol.
What is the SMILES notation for 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?
The canonical SMILES for 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol is Nc1cn[nH]c1-c1cc(O)cc(Cl)c1.
What is the InChIKey of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?
The InChIKey is NVPNZABKBOVBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O/c10-6-1-5(2-7(14)3-6)9-8(11)4-12-13-9/h1-4,14H,11H2,(H,12,13).
What are the key properties of 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol?
3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol has a molecular weight of 209.64 g/mol, XLogP of 2.02, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol is sourced from PubChem (CID 154491984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).