1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine

C17H28N4 — CID 79109772

IUPAC1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C17H28N4/c1-5-9-18-17(6-2)15-7-10-20(12-15)13-16-8-11-21(19-16)14(3)4/h7-8,10-12,14,17-18H,5-6,9,13H2,1-4H3
InChIKeyKSGXAQMLCKVELF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.76
Rot. Bonds8

About 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine

1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine (PubChem CID 79109772) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
PubChem CID79109772
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccn(Cc2ccn(C(C)C)n2)c1
InChIInChI=1S/C17H28N4/c1-5-9-18-17(6-2)15-7-10-20(12-15)13-16-8-11-21(19-16)14(3)4/h7-8,10-12,14,17-18H,5-6,9,13H2,1-4H3
InChIKeyKSGXAQMLCKVELF-UHFFFAOYSA-N
XLogP3.76
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104557
N-ethyl-2-methyl-1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79108130
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109793
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
1-[1-[(2,3-dichlorophenyl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 107307292
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79104672
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79105948
1-[1-[(1-butan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-2-methylpropan-1-amine
CID 79097208

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine (CID 79109772) is 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccn(Cc2ccn(C(C)C)n2)c1.
What is the InChIKey of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
The InChIKey is KSGXAQMLCKVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-5-9-18-17(6-2)15-7-10-20(12-15)13-16-8-11-21(19-16)14(3)4/h7-8,10-12,14,17-18H,5-6,9,13H2,1-4H3.
What are the key properties of 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine?
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine has a molecular weight of 288.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 79109772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).