4-nitroso-1-propylpyrazole

C6H9N3O — CID 145426566

IUPAC4-nitroso-1-propylpyrazole
SMILESCCCn1cc(N=O)cn1
InChIInChI=1S/C6H9N3O/c1-2-3-9-5-6(8-10)4-7-9/h4-5H,2-3H2,1H3
InChIKeyAWBMLBPBNVUIDN-UHFFFAOYSA-N
MW139.16 g/mol
LogP1.69
Rot. Bonds3

About 4-nitroso-1-propylpyrazole

4-nitroso-1-propylpyrazole (PubChem CID 145426566) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-nitroso-1-propylpyrazole.

Molecular Properties

Compound Name4-nitroso-1-propylpyrazole
PubChem CID145426566
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-nitroso-1-propylpyrazole
SMILESCCCn1cc(N=O)cn1
InChIInChI=1S/C6H9N3O/c1-2-3-9-5-6(8-10)4-7-9/h4-5H,2-3H2,1H3
InChIKeyAWBMLBPBNVUIDN-UHFFFAOYSA-N
XLogP1.69
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-nitrosopyrazol-1-yl)propyl]morpholine
CID 123742867
(1-propylpyrazol-4-yl)methanethiol
CID 103573669
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
4-propoxy-1-propylpyrazole
CID 116805185
methyl-(1-propylpyrazol-4-yl)borinic acid
CID 123588068
2-methyl-1-(1-propylpyrazol-4-yl)prop-2-en-1-one
CID 103446366
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
3-methyl-2-(1-propylpyrazol-4-yl)oxybutanoic acid
CID 116799986
2-amino-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 103572279
[2,2-dimethyl-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105203000
1-(1-propylpyrazol-4-yl)hexan-1-one
CID 114963851

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-1-propylpyrazole?
The IUPAC name of 4-nitroso-1-propylpyrazole (CID 145426566) is 4-nitroso-1-propylpyrazole.
What is the SMILES notation for 4-nitroso-1-propylpyrazole?
The canonical SMILES for 4-nitroso-1-propylpyrazole is CCCn1cc(N=O)cn1.
What is the InChIKey of 4-nitroso-1-propylpyrazole?
The InChIKey is AWBMLBPBNVUIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-3-9-5-6(8-10)4-7-9/h4-5H,2-3H2,1H3.
What are the key properties of 4-nitroso-1-propylpyrazole?
4-nitroso-1-propylpyrazole has a molecular weight of 139.16 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-1-propylpyrazole is sourced from PubChem (CID 145426566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).