1-butyl-4-nitrosopyrazol-5-amine;hydrochloride

C7H13ClN4O — CID 121225750

IUPAC1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
SMILESCCCCn1ncc(N=O)c1N.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-2-3-4-11-7(8)6(10-12)5-9-11;/h5H,2-4,8H2,1H3;1H
InChIKeyQQQPDRQHSLTNRP-UHFFFAOYSA-N
MW204.66 g/mol
LogP2.09
Rot. Bonds4

About 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride

1-butyl-4-nitrosopyrazol-5-amine;hydrochloride (PubChem CID 121225750) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
PubChem CID121225750
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name1-butyl-4-nitrosopyrazol-5-amine;hydrochloride
SMILESCCCCn1ncc(N=O)c1N.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-2-3-4-11-7(8)6(10-12)5-9-11;/h5H,2-4,8H2,1H3;1H
InChIKeyQQQPDRQHSLTNRP-UHFFFAOYSA-N
XLogP2.09
TPSA73.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?
The IUPAC name of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride (CID 121225750) is 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride.
What is the SMILES notation for 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?
The canonical SMILES for 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride is CCCCn1ncc(N=O)c1N.Cl.
What is the InChIKey of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?
The InChIKey is QQQPDRQHSLTNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-2-3-4-11-7(8)6(10-12)5-9-11;/h5H,2-4,8H2,1H3;1H.
What are the key properties of 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride?
1-butyl-4-nitrosopyrazol-5-amine;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-nitrosopyrazol-5-amine;hydrochloride is sourced from PubChem (CID 121225750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).