4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine

C9H11BrN4 — CID 136995808

IUPAC4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cc[nH]c2)c1Br
InChIInChI=1S/C9H11BrN4/c1-14(2)9-7(10)8(12-13-9)6-3-4-11-5-6/h3-5,11H,1-2H3,(H,12,13)
InChIKeyNGHFGRRAKVIETA-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.23
Rot. Bonds2

About 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine

4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine (PubChem CID 136995808) has the molecular formula C9H11BrN4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine
PubChem CID136995808
Molecular FormulaC9H11BrN4
Molecular Weight255.12 g/mol
Exact Mass254.02
IUPAC Name4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine
SMILESCN(C)c1n[nH]c(-c2cc[nH]c2)c1Br
InChIInChI=1S/C9H11BrN4/c1-14(2)9-7(10)8(12-13-9)6-3-4-11-5-6/h3-5,11H,1-2H3,(H,12,13)
InChIKeyNGHFGRRAKVIETA-UHFFFAOYSA-N
XLogP2.23
TPSA47.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine (CID 136995808) is 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine is CN(C)c1n[nH]c(-c2cc[nH]c2)c1Br.
What is the InChIKey of 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine?
The InChIKey is NGHFGRRAKVIETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN4/c1-14(2)9-7(10)8(12-13-9)6-3-4-11-5-6/h3-5,11H,1-2H3,(H,12,13).
What are the key properties of 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine?
4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine has a molecular weight of 255.12 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dimethyl-5-(1H-pyrrol-3-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 136995808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).