1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea

C6H10BrN5S — CID 130563777

IUPAC1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea
SMILESNNC(=S)NCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN5S/c7-5-3-10-12(4-5)2-1-9-6(13)11-8/h3-4H,1-2,8H2,(H2,9,11,13)
InChIKeyASAGSMMXIKIONB-UHFFFAOYSA-N
MW264.15 g/mol
LogP-0.02
Rot. Bonds3

About 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea

1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea (PubChem CID 130563777) has the molecular formula C6H10BrN5S and a molecular weight of 264.15 g/mol. Its IUPAC name is 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea
PubChem CID130563777
Molecular FormulaC6H10BrN5S
Molecular Weight264.15 g/mol
Exact Mass262.98
IUPAC Name1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea
SMILESNNC(=S)NCCn1cc(Br)cn1
InChIInChI=1S/C6H10BrN5S/c7-5-3-10-12(4-5)2-1-9-6(13)11-8/h3-4H,1-2,8H2,(H2,9,11,13)
InChIKeyASAGSMMXIKIONB-UHFFFAOYSA-N
XLogP-0.02
TPSA67.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.15
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[2-(4-bromopyrazol-1-yl)ethyl]guanidine
CID 130563760
3-(4-bromopyrazol-1-yl)propanethioamide
CID 61035415
1-[3-(4-bromopyrazol-1-yl)propyl]-3-[3-(dimethylamino)propyl]thiourea
CID 19334251
N-[2-(4-bromopyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19282850
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17300291
1-[3-(4-bromopyrazol-1-yl)propyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]thiourea
CID 19334293
1-[2-(4-bromopyrazol-1-yl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
CID 19584912
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
CID 62566245
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 126982173
N-[2-(4-bromopyrazol-1-yl)ethyl]-2-methylpropan-1-amine
CID 62442905
1-[3-(4-bromopyrazol-1-yl)propyl]-3-(3-methylphenyl)thiourea
CID 17269871
1-[3-(4-bromopyrazol-1-yl)propyl]-3-(2,4-difluorophenyl)thiourea
CID 2206354

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea (CID 130563777) is 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea is NNC(=S)NCCn1cc(Br)cn1.
What is the InChIKey of 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea?
The InChIKey is ASAGSMMXIKIONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrN5S/c7-5-3-10-12(4-5)2-1-9-6(13)11-8/h3-4H,1-2,8H2,(H2,9,11,13).
What are the key properties of 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea?
1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea has a molecular weight of 264.15 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(4-bromopyrazol-1-yl)ethyl]thiourea is sourced from PubChem (CID 130563777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).