N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine

C15H24N4 — CID 79105358

IUPACN-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(CCn2cccn2)c1
InChIInChI=1S/C15H24N4/c1-3-7-16-15(4-2)14-6-10-18(13-14)11-12-19-9-5-8-17-19/h5-6,8-10,13,15-16H,3-4,7,11-12H2,1-2H3
InChIKeyBLWMTGGVZWFBBM-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.84
Rot. Bonds8

About N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine

N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine (PubChem CID 79105358) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
PubChem CID79105358
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC NameN-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
SMILESCCCNC(CC)c1ccn(CCn2cccn2)c1
InChIInChI=1S/C15H24N4/c1-3-7-16-15(4-2)14-6-10-18(13-14)11-12-19-9-5-8-17-19/h5-6,8-10,13,15-16H,3-4,7,11-12H2,1-2H3
InChIKeyBLWMTGGVZWFBBM-UHFFFAOYSA-N
XLogP2.84
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79098937
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998
1-[2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899275
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
N-propyl-1-[1-(pyridin-2-ylmethyl)pyrrol-3-yl]propan-1-amine
CID 79104557
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104829
5-[3-[1-(propylamino)propyl]pyrrol-1-yl]pentanenitrile
CID 79105888
N-propyl-1-[1-(2-thiophen-2-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105617
N-propyl-1-[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79109793
1-(4-chlorophenyl)-N-(2-pyrazol-1-ylethyl)propan-1-amine
CID 54951481

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine?
The IUPAC name of N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine (CID 79105358) is N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine.
What is the SMILES notation for N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine?
The canonical SMILES for N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine is CCCNC(CC)c1ccn(CCn2cccn2)c1.
What is the InChIKey of N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine?
The InChIKey is BLWMTGGVZWFBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-7-16-15(4-2)14-6-10-18(13-14)11-12-19-9-5-8-17-19/h5-6,8-10,13,15-16H,3-4,7,11-12H2,1-2H3.
What are the key properties of N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine?
N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine is sourced from PubChem (CID 79105358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).