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

C14H22N4 — CID 79098937

IUPACN-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(CCn2cccn2)c1
InChIInChI=1S/C14H22N4/c1-3-6-15-13(2)14-5-9-17(12-14)10-11-18-8-4-7-16-18/h4-5,7-9,12-13,15H,3,6,10-11H2,1-2H3
InChIKeyVEQWDSYIAHYSPI-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.45
Rot. Bonds7

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

N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine (PubChem CID 79098937) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
PubChem CID79098937
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccn(CCn2cccn2)c1
InChIInChI=1S/C14H22N4/c1-3-6-15-13(2)14-5-9-17(12-14)10-11-18-8-4-7-16-18/h4-5,7-9,12-13,15H,3,6,10-11H2,1-2H3
InChIKeyVEQWDSYIAHYSPI-UHFFFAOYSA-N
XLogP2.45
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]propan-1-amine
CID 79105358
N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099347
N-[1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099254
N-[1-[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098261
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
N-[1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099452
1-(4-tert-butylphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 61459928
(1R)-1-(4-methoxyphenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 81370767
N-[1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099551
N-[1-[1-[(1-ethylimidazol-2-yl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79099161
N-[1-[1-[(3-methylphenyl)methyl]pyrrol-3-yl]ethyl]propan-1-amine
CID 79098824
1-[1-(2-imidazol-1-ylethyl)pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104998

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine (CID 79098937) is N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine is CCCNC(C)c1ccn(CCn2cccn2)c1.
What is the InChIKey of N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
The InChIKey is VEQWDSYIAHYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-6-15-13(2)14-5-9-17(12-14)10-11-18-8-4-7-16-18/h4-5,7-9,12-13,15H,3,6,10-11H2,1-2H3.
What are the key properties of N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine?
N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine has a molecular weight of 246.36 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-pyrazol-1-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 79098937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).