N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

C9H13BrN4 — CID 126982173

IUPACN-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESBrc1cnn(CCNC2=NCCC2)c1
InChIInChI=1S/C9H13BrN4/c10-8-6-13-14(7-8)5-4-12-9-2-1-3-11-9/h6-7H,1-5H2,(H,11,12)
InChIKeyHHOGNQFVVDPGLP-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.43
Rot. Bonds3

About N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine

N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 126982173) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID126982173
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC NameN-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine
SMILESBrc1cnn(CCNC2=NCCC2)c1
InChIInChI=1S/C9H13BrN4/c10-8-6-13-14(7-8)5-4-12-9-2-1-3-11-9/h6-7H,1-5H2,(H,11,12)
InChIKeyHHOGNQFVVDPGLP-UHFFFAOYSA-N
XLogP1.43
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine (CID 126982173) is N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is Brc1cnn(CCNC2=NCCC2)c1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is HHOGNQFVVDPGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c10-8-6-13-14(7-8)5-4-12-9-2-1-3-11-9/h6-7H,1-5H2,(H,11,12).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine?
N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 257.13 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)ethyl]-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 126982173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).