N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine

C5H10N4O — CID 164925291

IUPACN-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine
SMILESCn1cc(NO)c(CN)n1
InChIInChI=1S/C5H10N4O/c1-9-3-5(8-10)4(2-6)7-9/h3,8,10H,2,6H2,1H3
InChIKeyPVKSHOFBGFCYOM-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.32
Rot. Bonds2

About N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine

N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine (PubChem CID 164925291) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine.

Molecular Properties

Compound NameN-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine
PubChem CID164925291
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC NameN-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine
SMILESCn1cc(NO)c(CN)n1
InChIInChI=1S/C5H10N4O/c1-9-3-5(8-10)4(2-6)7-9/h3,8,10H,2,6H2,1H3
InChIKeyPVKSHOFBGFCYOM-UHFFFAOYSA-N
XLogP-0.32
TPSA76.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine?
The IUPAC name of N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine (CID 164925291) is N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine.
What is the SMILES notation for N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine?
The canonical SMILES for N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine is Cn1cc(NO)c(CN)n1.
What is the InChIKey of N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine?
The InChIKey is PVKSHOFBGFCYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-9-3-5(8-10)4(2-6)7-9/h3,8,10H,2,6H2,1H3.
What are the key properties of N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine?
N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine has a molecular weight of 142.16 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-1-methylpyrazol-4-yl]hydroxylamine is sourced from PubChem (CID 164925291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).