4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine

C8H10N4 — CID 58077624

IUPAC4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine
SMILESCn1cc(C2=CCN=C2N)cn1
InChIInChI=1S/C8H10N4/c1-12-5-6(4-11-12)7-2-3-10-8(7)9/h2,4-5H,3H2,1H3,(H2,9,10)
InChIKeyJPPDTAVYZITNRI-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.17
Rot. Bonds1

About 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine

4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine (PubChem CID 58077624) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine
PubChem CID58077624
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine
SMILESCn1cc(C2=CCN=C2N)cn1
InChIInChI=1S/C8H10N4/c1-12-5-6(4-11-12)7-2-3-10-8(7)9/h2,4-5H,3H2,1H3,(H2,9,10)
InChIKeyJPPDTAVYZITNRI-UHFFFAOYSA-N
XLogP0.17
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1E,3E)-4-fluoro-2-(1-methylpyrazol-4-yl)penta-1,3-dien-1-amine
CID 118951926
4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
7-Ethenyl-3-fluoro-5-(1-methylpyrazol-4-yl)cyclohepta-1,2,4,6-tetraen-1-amine
CID 126763540
(2E,4E)-4,6-difluoro-5-(1-methylpyrazol-4-yl)hepta-2,4,6-trien-3-amine
CID 145105885
4-[(2E,4Z,6Z)-6,7-difluorohepta-2,4,6-trien-2-yl]-1-methylpyrazole
CID 156099693
1-(difluoromethyl)-4-[(Z)-3-methylpent-2-en-2-yl]pyrazole
CID 156104348
5-(1-Ethyl-5-fluoropyrazol-4-yl)-1,2,3,6-tetrahydropyridine
CID 130506773
4-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrazole
CID 145324663
2-(1-Methylpyrazol-4-yl)ethene-1,1,2-tricarbonitrile
CID 21818631
1-methyl-7-(1-methyl-1H-pyrazol-4-yl)-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]pyridine
CID 58009932
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methylpyrazole
CID 87095981

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine (CID 58077624) is 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine is Cn1cc(C2=CCN=C2N)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine?
The InChIKey is JPPDTAVYZITNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-12-5-6(4-11-12)7-2-3-10-8(7)9/h2,4-5H,3H2,1H3,(H2,9,10).
What are the key properties of 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine?
4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine has a molecular weight of 162.20 g/mol, XLogP of 0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2H-pyrrol-5-amine is sourced from PubChem (CID 58077624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).