4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine

C7H12BrN3 — CID 140919591

IUPAC4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine
SMILESCC(C)Nc1c(Br)cnn1C
InChIInChI=1S/C7H12BrN3/c1-5(2)10-7-6(8)4-9-11(7)3/h4-5,10H,1-3H3
InChIKeyMDZNGOJAMUFVCM-UHFFFAOYSA-N
MW218.10 g/mol
LogP2.00
Rot. Bonds2

About 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine

4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine (PubChem CID 140919591) has the molecular formula C7H12BrN3 and a molecular weight of 218.10 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine
PubChem CID140919591
Molecular FormulaC7H12BrN3
Molecular Weight218.10 g/mol
Exact Mass217.02
IUPAC Name4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine
SMILESCC(C)Nc1c(Br)cnn1C
InChIInChI=1S/C7H12BrN3/c1-5(2)10-7-6(8)4-9-11(7)3/h4-5,10H,1-3H3
InChIKeyMDZNGOJAMUFVCM-UHFFFAOYSA-N
XLogP2.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1-methyl-1H-pyrazol-5-amine
CID 600351
4-bromo-1-methyl-1H-pyrazol-3-amine
CID 2735283
7-bromo-1H,2H,3H-pyrazolo(1,5-a)imidazole hydrobromide
CID 135539581
4-bromo-1-ethyl-1H-pyrazol-3-amine
CID 19619846
7-bromo-1H,2H,3H-pyrazolo[1,5-a]imidazole
CID 425894
N-methyl-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 63090550
4-bromo-1-cyclopropyl-1H-pyrazol-5-amine
CID 83382905
3-bromo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine
CID 136328632
4-iodo-1-(propan-2-yl)-1H-pyrazol-5-amine
CID 25324162
4-bromo-1-tert-butyl-1H-pyrazol-5-amine hydrochloride
CID 121553487
4-bromo-1-methyl-1H-pyrazol-5-amine hydrobromide
CID 122156616
3-bromo-5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine
CID 136329515

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine?
The IUPAC name of 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine (CID 140919591) is 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine is CC(C)Nc1c(Br)cnn1C.
What is the InChIKey of 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine?
The InChIKey is MDZNGOJAMUFVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3/c1-5(2)10-7-6(8)4-9-11(7)3/h4-5,10H,1-3H3.
What are the key properties of 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine?
4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine has a molecular weight of 218.10 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 140919591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).