4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine

C10H20N10 — CID 18626956

IUPAC4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine
SMILESCc1nn(C)c(NCCN)c1NC1(N)C(N)=NN=C1N
InChIInChI=1S/C10H20N10/c1-5-6(7(15-4-3-11)20(2)19-5)16-10(14)8(12)17-18-9(10)13/h15-16H,3-4,11,14H2,1-2H3,(H2,12,17)(H2,13,18)
InChIKeyXQQJJNXDMCFDKZ-UHFFFAOYSA-N
MW280.34 g/mol
LogP-2.19
Rot. Bonds5

About 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine

4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine (PubChem CID 18626956) has the molecular formula C10H20N10 and a molecular weight of 280.34 g/mol. Its IUPAC name is 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine.

Molecular Properties

Compound Name4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine
PubChem CID18626956
Molecular FormulaC10H20N10
Molecular Weight280.34 g/mol
Exact Mass280.19
IUPAC Name4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine
SMILESCc1nn(C)c(NCCN)c1NC1(N)C(N)=NN=C1N
InChIInChI=1S/C10H20N10/c1-5-6(7(15-4-3-11)20(2)19-5)16-10(14)8(12)17-18-9(10)13/h15-16H,3-4,11,14H2,1-2H3,(H2,12,17)(H2,13,18)
InChIKeyXQQJJNXDMCFDKZ-UHFFFAOYSA-N
XLogP-2.19
TPSA170.68 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.34
LogP ≤ 5-2.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N1-(1,3-dimethyl-1H-pyrazol-5-yl)ethane-1,2-diamine dihydrochloride
CID 91647558
2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidin-3-amine dihydrochloride
CID 146155195
N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
CID 154857210
N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
1-Methyl-5-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)pyrazol-4-amine
CID 71176960
N-(2,5-dimethyl-4-nitro-2H-pyrazol-3-yl)-N',N'-dimethylpropane-1,3-diamine
CID 2807344
1,3-dimethyl-6-propyl-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-b][1,4]diazepine
CID 136298115
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011492
1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011693
5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 60892121

Frequently Asked Questions

What is the IUPAC name of 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine?
The IUPAC name of 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine (CID 18626956) is 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine.
What is the SMILES notation for 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine?
The canonical SMILES for 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine is Cc1nn(C)c(NCCN)c1NC1(N)C(N)=NN=C1N.
What is the InChIKey of 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine?
The InChIKey is XQQJJNXDMCFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N10/c1-5-6(7(15-4-3-11)20(2)19-5)16-10(14)8(12)17-18-9(10)13/h15-16H,3-4,11,14H2,1-2H3,(H2,12,17)(H2,13,18).
What are the key properties of 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine?
4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine has a molecular weight of 280.34 g/mol, XLogP of -2.19, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N'-[5-(2-aminoethylamino)-1,3-dimethylpyrazol-4-yl]pyrazole-3,4,4,5-tetramine is sourced from PubChem (CID 18626956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).