1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine

C15H24N4 — CID 79097544

IUPAC1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(Cc2cc(C)nn2C)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-11(2)15(16-4)13-6-7-19(9-13)10-14-8-12(3)17-18(14)5/h6-9,11,15-16H,10H2,1-5H3
InChIKeyKQIPIQBDFRMDHZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.49
Rot. Bonds5

About 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine

1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine (PubChem CID 79097544) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
PubChem CID79097544
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
SMILESCNC(c1ccn(Cc2cc(C)nn2C)c1)C(C)C
InChIInChI=1S/C15H24N4/c1-11(2)15(16-4)13-6-7-19(9-13)10-14-8-12(3)17-18(14)5/h6-9,11,15-16H,10H2,1-5H3
InChIKeyKQIPIQBDFRMDHZ-UHFFFAOYSA-N
XLogP2.49
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]butan-1-ol
CID 79109233
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylbutan-1-amine
CID 79108751
N,2-dimethyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79097378
N,2-dimethyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79097804
N,2-dimethyl-1-[1-(2-propan-2-yloxyethyl)pyrrol-3-yl]propan-1-amine
CID 79097308
N,2-dimethyl-1-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096970
N,2-dimethyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79096969
1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79109900
1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 113437043
1-[1-[(2-methoxyphenyl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 79097214
2-methyl-1-[1-[(3-methylimidazol-4-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79097821
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The IUPAC name of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine (CID 79097544) is 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine is CNC(c1ccn(Cc2cc(C)nn2C)c1)C(C)C.
What is the InChIKey of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
The InChIKey is KQIPIQBDFRMDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-11(2)15(16-4)13-6-7-19(9-13)10-14-8-12(3)17-18(14)5/h6-9,11,15-16H,10H2,1-5H3.
What are the key properties of 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine?
1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 79097544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).