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

C13H19ClN4 — CID 66406726

IUPAC1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCCc1nn(C)c(Cn2ccc(CNC)c2)c1Cl
InChIInChI=1S/C13H19ClN4/c1-4-11-13(14)12(17(3)16-11)9-18-6-5-10(8-18)7-15-2/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyTYGHGXNGTFQTHM-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.21
Rot. Bonds5

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

1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine (PubChem CID 66406726) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
PubChem CID66406726
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC Name1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
SMILESCCc1nn(C)c(Cn2ccc(CNC)c2)c1Cl
InChIInChI=1S/C13H19ClN4/c1-4-11-13(14)12(17(3)16-11)9-18-6-5-10(8-18)7-15-2/h5-6,8,15H,4,7,9H2,1-3H3
InChIKeyTYGHGXNGTFQTHM-UHFFFAOYSA-N
XLogP2.21
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66405493
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66406718
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-1-ol
CID 79105390
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404693
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403663
1-[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66404694
1-[1-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]propan-2-amine
CID 66406497
1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrole-2-carbaldehyde
CID 66408783
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 66405511
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
N-[1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-2-yl]ethyl]propan-1-amine
CID 79108705
N-methyl-1-[1-[(6-methyl-2-pyridinyl)methyl]pyrrol-3-yl]methanamine
CID 79261826

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine (CID 66406726) is 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine is CCc1nn(C)c(Cn2ccc(CNC)c2)c1Cl.
What is the InChIKey of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is TYGHGXNGTFQTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4/c1-4-11-13(14)12(17(3)16-11)9-18-6-5-10(8-18)7-15-2/h5-6,8,15H,4,7,9H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine?
1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 266.78 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 66406726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).