N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine

C9H18N3PS — CID 142529460

IUPACN-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine
SMILESCCCc1cc(N(P)S)nn1C(C)C
InChIInChI=1S/C9H18N3PS/c1-4-5-8-6-9(12(13)14)10-11(8)7(2)3/h6-7,14H,4-5,13H2,1-3H3
InChIKeyNHYGIVBVBOPCGR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.86
Rot. Bonds4

About N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine

N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine (PubChem CID 142529460) has the molecular formula C9H18N3PS and a molecular weight of 231.30 g/mol. Its IUPAC name is N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine
PubChem CID142529460
Molecular FormulaC9H18N3PS
Molecular Weight231.30 g/mol
Exact Mass231.10
IUPAC NameN-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine
SMILESCCCc1cc(N(P)S)nn1C(C)C
InChIInChI=1S/C9H18N3PS/c1-4-5-8-6-9(12(13)14)10-11(8)7(2)3/h6-7,14H,4-5,13H2,1-3H3
InChIKeyNHYGIVBVBOPCGR-UHFFFAOYSA-N
XLogP2.86
TPSA21.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-propan-2-yl-5-propylpyrazol-3-yl)ethanamine
CID 105449463
N-methyl-3-(1-propan-2-yl-5-propylpyrazol-3-yl)propan-1-amine
CID 105481332
5-(2-aminoethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863937
1-propan-2-yl-5-propylimidazole
CID 139308338
2-(5-ethyl-1-propan-2-ylpyrazol-3-yl)acetic acid
CID 105450054
2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
CID 62408184
[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
CID 167336895
5-(aminomethyl)-1-propan-2-ylpyrazol-3-amine
CID 83863940
5-chloro-1-propan-2-yl-3-propylindazole
CID 66838271
3-ethyl-5-methyl-1-propan-2-ylpyrazole
CID 58977189
1-propan-2-yl-5-propyl-4-(trifluoromethyl)triazole
CID 69384944
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 122166419

Frequently Asked Questions

What is the IUPAC name of N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine?
The IUPAC name of N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine (CID 142529460) is N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine.
What is the SMILES notation for N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine?
The canonical SMILES for N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine is CCCc1cc(N(P)S)nn1C(C)C.
What is the InChIKey of N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine?
The InChIKey is NHYGIVBVBOPCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3PS/c1-4-5-8-6-9(12(13)14)10-11(8)7(2)3/h6-7,14H,4-5,13H2,1-3H3.
What are the key properties of N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine?
N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine has a molecular weight of 231.30 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phosphanyl-N-(1-propan-2-yl-5-propylpyrazol-3-yl)thiohydroxylamine is sourced from PubChem (CID 142529460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).