1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol

C6H10ClN3O2 — CID 171861448

IUPAC1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
SMILESNc1[nH]ncc1C(O)C(O)CCl
InChIInChI=1S/C6H10ClN3O2/c7-1-4(11)5(12)3-2-9-10-6(3)8/h2,4-5,11-12H,1H2,(H3,8,9,10)
InChIKeyIRCHCKPILZXKFW-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.38
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol

1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol (PubChem CID 171861448) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
PubChem CID171861448
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol
SMILESNc1[nH]ncc1C(O)C(O)CCl
InChIInChI=1S/C6H10ClN3O2/c7-1-4(11)5(12)3-2-9-10-6(3)8/h2,4-5,11-12H,1H2,(H3,8,9,10)
InChIKeyIRCHCKPILZXKFW-UHFFFAOYSA-N
XLogP-0.38
TPSA95.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170829471
3-(5-amino-1H-pyrazol-4-yl)-2,3-dihydroxypropanoic acid
CID 170823402
1-(5-amino-1H-pyrazol-4-yl)-2-methylpentan-1-ol
CID 107892925
3-chloro-1-(1H-indazol-4-yl)propane-1,2-diol
CID 171862199
(5-amino-1H-pyrazol-4-yl)-(2-ethoxyphenyl)methanol
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1-(5-amino-1H-pyrazol-4-yl)-3-methylbut-3-en-1-ol
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1-(5-amino-1H-pyrazol-4-yl)-3-ethylpentan-1-ol
CID 82920619
1-(5-amino-1H-pyrazol-4-yl)-5-methylhexan-1-ol
CID 83161431
1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
CID 65361725
1-(5-aminopyrazin-2-yl)-3-chloropropane-1,2-diol
CID 171861554
1-(5-amino-1H-pyrazol-4-yl)-2-(2,5-dichlorophenyl)ethanol
CID 65362046
4-(1-hydrazinyl-2-methylprop-2-enyl)-1H-pyrazol-5-amine
CID 105231296

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol (CID 171861448) is 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol is Nc1[nH]ncc1C(O)C(O)CCl.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol?
The InChIKey is IRCHCKPILZXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3O2/c7-1-4(11)5(12)3-2-9-10-6(3)8/h2,4-5,11-12H,1H2,(H3,8,9,10).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol?
1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol has a molecular weight of 191.62 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-3-chloropropane-1,2-diol is sourced from PubChem (CID 171861448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).