N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine

C10H19N3O — CID 139137715

IUPACN-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine
SMILESCCCn1cc(N(O)C(C)(C)C)cn1
InChIInChI=1S/C10H19N3O/c1-5-6-12-8-9(7-11-12)13(14)10(2,3)4/h7-8,14H,5-6H2,1-4H3
InChIKeyKNWJRVVSPXOFGG-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.29
Rot. Bonds3

About N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine

N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine (PubChem CID 139137715) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine.

Molecular Properties

Compound NameN-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine
PubChem CID139137715
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine
SMILESCCCn1cc(N(O)C(C)(C)C)cn1
InChIInChI=1S/C10H19N3O/c1-5-6-12-8-9(7-11-12)13(14)10(2,3)4/h7-8,14H,5-6H2,1-4H3
InChIKeyKNWJRVVSPXOFGG-UHFFFAOYSA-N
XLogP2.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 114981636
2-(diethylamino)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79054130
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
2-methyl-2-[methyl-(1-propylpyrazole-4-carbonyl)amino]propanoic acid
CID 120518820
2-methyl-1-(1-propylpyrazol-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79055851
N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
methyl-(1-propylpyrazol-4-yl)borinic acid
CID 123588068
2-(azepan-1-yl)-2-methyl-1-(1-propylpyrazol-4-yl)propan-1-one
CID 79052724
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
3-methyl-N-[(1-propylpyrazol-4-yl)methyl]pentan-3-amine
CID 115632424

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine?
The IUPAC name of N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine (CID 139137715) is N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine.
What is the SMILES notation for N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine?
The canonical SMILES for N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine is CCCn1cc(N(O)C(C)(C)C)cn1.
What is the InChIKey of N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine?
The InChIKey is KNWJRVVSPXOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-6-12-8-9(7-11-12)13(14)10(2,3)4/h7-8,14H,5-6H2,1-4H3.
What are the key properties of N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine?
N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine has a molecular weight of 197.28 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(1-propylpyrazol-4-yl)hydroxylamine is sourced from PubChem (CID 139137715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).