1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole

C16H21N5 — CID 102459285

IUPAC1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccc(Cn3nc(C)cc3C)[nH]2)n1
InChIInChI=1S/C16H21N5/c1-11-7-13(3)20(18-11)9-15-5-6-16(17-15)10-21-14(4)8-12(2)19-21/h5-8,17H,9-10H2,1-4H3
InChIKeyJPPBVFFIBWIEAI-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.74
Rot. Bonds4

About 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole

1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole (PubChem CID 102459285) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
PubChem CID102459285
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccc(Cn3nc(C)cc3C)[nH]2)n1
InChIInChI=1S/C16H21N5/c1-11-7-13(3)20(18-11)9-15-5-6-16(17-15)10-21-14(4)8-12(2)19-21/h5-8,17H,9-10H2,1-4H3
InChIKeyJPPBVFFIBWIEAI-UHFFFAOYSA-N
XLogP2.74
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole with MolForge

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Related Compounds

2,6-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)pyridine
CID 12975816
2,3,4,5,10,15,17,18,19,21,22,23-dodecahydro-1H-corrin
CID 53746326
21,22,23,24-tetrahydro-5H-corrin
CID 57084307
2,2'-Bipyrrolyl-pyrromethene
CID 129829513
1-(2-fluoroethyl)-3-(1H-pyrrol-2-yl)pyrazole
CID 176026847
2,6-Bis[(3,4,5-trimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 71406599
5,10,15,20-Tetra(pyrazol-1-yl)-21,22,23,24-tetrahydroporphyrin
CID 91428846
24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin
CID 91472866
3,5-bis(1-methylpyrrol-2-yl)-1H-pyrazole
CID 102274562
1-[[5-[3-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]pentan-3-yl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
CID 122402284
1-[[5-[1-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]cyclohexyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole
CID 122402285
2,5-Bis(3,5-dimethylpyrazolylmethyl)pyrrole
CID 129859116

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole (CID 102459285) is 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2ccc(Cn3nc(C)cc3C)[nH]2)n1.
What is the InChIKey of 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
The InChIKey is JPPBVFFIBWIEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-11-7-13(3)20(18-11)9-15-5-6-16(17-15)10-21-14(4)8-12(2)19-21/h5-8,17H,9-10H2,1-4H3.
What are the key properties of 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole?
1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole has a molecular weight of 283.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrrol-2-yl]methyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 102459285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).