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

C9H12N4 — CID 136995824

IUPACN,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine
SMILESCNc1cc(-c2cc[nH]c2)n(C)n1
InChIInChI=1S/C9H12N4/c1-10-9-5-8(13(2)12-9)7-3-4-11-6-7/h3-6,11H,1-2H3,(H,10,12)
InChIKeyUGXRQOKHDXKGCJ-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.46
Rot. Bonds2

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

N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine (PubChem CID 136995824) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine.

Molecular Properties

Compound NameN,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine
PubChem CID136995824
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC NameN,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine
SMILESCNc1cc(-c2cc[nH]c2)n(C)n1
InChIInChI=1S/C9H12N4/c1-10-9-5-8(13(2)12-9)7-3-4-11-6-7/h3-6,11H,1-2H3,(H,10,12)
InChIKeyUGXRQOKHDXKGCJ-UHFFFAOYSA-N
XLogP1.46
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine?
The IUPAC name of N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine (CID 136995824) is N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine.
What is the SMILES notation for N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine?
The canonical SMILES for N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine is CNc1cc(-c2cc[nH]c2)n(C)n1.
What is the InChIKey of N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine?
The InChIKey is UGXRQOKHDXKGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-10-9-5-8(13(2)12-9)7-3-4-11-6-7/h3-6,11H,1-2H3,(H,10,12).
What are the key properties of N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine?
N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine has a molecular weight of 176.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine is sourced from PubChem (CID 136995824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).