1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine

C13H19ClN4 — CID 79103080

IUPAC1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
SMILESCCn1nc(C)c(Cl)c1Cn1ccc(C(C)N)c1
InChIInChI=1S/C13H19ClN4/c1-4-18-12(13(14)10(3)16-18)8-17-6-5-11(7-17)9(2)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyFSWNPLPKPFILFD-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.73
Rot. Bonds4

About 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine

1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine (PubChem CID 79103080) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
PubChem CID79103080
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine
SMILESCCn1nc(C)c(Cl)c1Cn1ccc(C(C)N)c1
InChIInChI=1S/C13H19ClN4/c1-4-18-12(13(14)10(3)16-18)8-17-6-5-11(7-17)9(2)15/h5-7,9H,4,8,15H2,1-3H3
InChIKeyFSWNPLPKPFILFD-UHFFFAOYSA-N
XLogP2.73
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104694
3-amino-1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyridin-4-one
CID 82990835
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 66399745
1-[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-ethylethanamine
CID 79109001
[1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-cyclopropylmethanamine
CID 79098652
1-[1-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105296
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(3,4-dichlorophenyl)ethanamine
CID 81491483
(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025743
(1S)-1-[4-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]propan-1-amine
CID 79025747
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227837
1-[1-[(2,4,6-trimethylphenyl)methyl]pyrrol-3-yl]ethanamine
CID 79102391
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclopropyl]ethanamine
CID 106797396

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine (CID 79103080) is 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine is CCn1nc(C)c(Cl)c1Cn1ccc(C(C)N)c1.
What is the InChIKey of 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine?
The InChIKey is FSWNPLPKPFILFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-4-18-12(13(14)10(3)16-18)8-17-6-5-11(7-17)9(2)15/h5-7,9H,4,8,15H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine?
1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine has a molecular weight of 266.78 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]ethanamine is sourced from PubChem (CID 79103080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).