1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine

C6H11N5 — CID 21018099

IUPAC1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine
SMILESN/C=C/Cn1ncc(N)c1N
InChIInChI=1S/C6H11N5/c7-2-1-3-11-6(9)5(8)4-10-11/h1-2,4H,3,7-9H2/b2-1+
InChIKeyLPPIWVMTXBHONM-OWOJBTEDSA-N
MW153.19 g/mol
LogP-0.48
Rot. Bonds2

About 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine

1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine (PubChem CID 21018099) has the molecular formula C6H11N5 and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine
PubChem CID21018099
Molecular FormulaC6H11N5
Molecular Weight153.19 g/mol
Exact Mass153.10
IUPAC Name1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine
SMILESN/C=C/Cn1ncc(N)c1N
InChIInChI=1S/C6H11N5/c7-2-1-3-11-6(9)5(8)4-10-11/h1-2,4H,3,7-9H2/b2-1+
InChIKeyLPPIWVMTXBHONM-OWOJBTEDSA-N
XLogP-0.48
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1H-Pyrazole, 4,5-diamine-1-methyl-, sulfate (1:1)
CID 21904571
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-Butyl-1H-pyrazol-5-amine
CID 642216
N-Isopropyl 4,5-diamino pyrazole sulfate
CID 18541936
5H-Pyrazolo(3,4-b)pyrazine-5-thione, 1,4-dihydro-1-ethenyl-
CID 3077008
1-Propyl-1H-pyrazol-5-amine
CID 1084923
1-(2-fluoroethyl)-1H-pyrazol-5-amine
CID 21904553
1-cyclobutyl-1H-pyrazol-5-amine
CID 55288616
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550
1-methyl-1H-pyrazole-4,5-diamine hydrochloride
CID 68601034

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine?
The IUPAC name of 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine (CID 21018099) is 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine.
What is the SMILES notation for 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine?
The canonical SMILES for 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine is N/C=C/Cn1ncc(N)c1N.
What is the InChIKey of 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine?
The InChIKey is LPPIWVMTXBHONM-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H11N5/c7-2-1-3-11-6(9)5(8)4-10-11/h1-2,4H,3,7-9H2/b2-1+.
What are the key properties of 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine?
1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine has a molecular weight of 153.19 g/mol, XLogP of -0.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-aminoprop-2-enyl]pyrazole-4,5-diamine is sourced from PubChem (CID 21018099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).