4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine

C10H19N7 — CID 163672950

IUPAC4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine
SMILESCCCNc1[nH]ncc1C(/C=N/CCN)=NN
InChIInChI=1S/C10H19N7/c1-2-4-14-10-8(6-15-17-10)9(16-12)7-13-5-3-11/h6-7H,2-5,11-12H2,1H3,(H2,14,15,17)/b13-7+,16-9?
InChIKeyPZTCKZPXOFPTDY-DNPDTACWSA-N
MW237.31 g/mol
LogP-0.08
Rot. Bonds7

About 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine

4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine (PubChem CID 163672950) has the molecular formula C10H19N7 and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine
PubChem CID163672950
Molecular FormulaC10H19N7
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine
SMILESCCCNc1[nH]ncc1C(/C=N/CCN)=NN
InChIInChI=1S/C10H19N7/c1-2-4-14-10-8(6-15-17-10)9(16-12)7-13-5-3-11/h6-7H,2-5,11-12H2,1H3,(H2,14,15,17)/b13-7+,16-9?
InChIKeyPZTCKZPXOFPTDY-DNPDTACWSA-N
XLogP-0.08
TPSA117.47 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-N-ethyl-1H-pyrazol-5-amine
CID 58477481
4-tert-butyl-N-methyl-1H-pyrazol-5-amine
CID 58477493
4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine
CID 58477495
4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
CID 58477506
N-pentyl-4-prop-2-enyl-1H-pyrazol-5-amine
CID 67647527
4-ethyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 68222975
4-ethyl-N-methyl-N-propyl-1H-pyrazol-5-amine
CID 68223082
N,4-diethyl-1H-pyrazol-5-amine
CID 68223083
N,N,4-triethyl-1H-pyrazol-5-amine
CID 68223089
4-ethyl-N-methyl-1H-pyrazol-5-amine
CID 68223090
N-ethyl-4-propan-2-yl-1H-pyrazol-5-amine
CID 90734715
N-ethyl-4-methyl-1H-pyrazol-5-amine
CID 90881418

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine?
The IUPAC name of 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine (CID 163672950) is 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine.
What is the SMILES notation for 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine?
The canonical SMILES for 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine is CCCNc1[nH]ncc1C(/C=N/CCN)=NN.
What is the InChIKey of 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine?
The InChIKey is PZTCKZPXOFPTDY-DNPDTACWSA-N. The full InChI is InChI=1S/C10H19N7/c1-2-4-14-10-8(6-15-17-10)9(16-12)7-13-5-3-11/h6-7H,2-5,11-12H2,1H3,(H2,14,15,17)/b13-7+,16-9?.
What are the key properties of 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine?
4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine has a molecular weight of 237.31 g/mol, XLogP of -0.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-aminoethylimino)ethanehydrazonoyl]-N-propyl-1H-pyrazol-5-amine is sourced from PubChem (CID 163672950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).