(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine

C9H12N4 — CID 10419704

IUPAC(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
SMILESCn1ncc(CN)c1-n1cccc1
InChIInChI=1S/C9H12N4/c1-12-9(8(6-10)7-11-12)13-4-2-3-5-13/h2-5,7H,6,10H2,1H3
InChIKeyNYKPSAPCQWXMPO-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.67
Rot. Bonds2

About (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine

(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine (PubChem CID 10419704) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
PubChem CID10419704
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
SMILESCn1ncc(CN)c1-n1cccc1
InChIInChI=1S/C9H12N4/c1-12-9(8(6-10)7-11-12)13-4-2-3-5-13/h2-5,7H,6,10H2,1H3
InChIKeyNYKPSAPCQWXMPO-UHFFFAOYSA-N
XLogP0.67
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The IUPAC name of (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine (CID 10419704) is (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine is Cn1ncc(CN)c1-n1cccc1.
What is the InChIKey of (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
The InChIKey is NYKPSAPCQWXMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-12-9(8(6-10)7-11-12)13-4-2-3-5-13/h2-5,7H,6,10H2,1H3.
What are the key properties of (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine?
(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 10419704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).