N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

C11H15ClN4 — CID 115693281

IUPACN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1cc(Cl)cc1CNCc1ccnn1C
InChIInChI=1S/C11H15ClN4/c1-15-8-9(12)5-11(15)7-13-6-10-3-4-14-16(10)2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyZNUVGJFLXTVXRU-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.70
Rot. Bonds4

About N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (PubChem CID 115693281) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
PubChem CID115693281
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC NameN-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
SMILESCn1cc(Cl)cc1CNCc1ccnn1C
InChIInChI=1S/C11H15ClN4/c1-15-8-9(12)5-11(15)7-13-6-10-3-4-14-16(10)2/h3-5,8,13H,6-7H2,1-2H3
InChIKeyZNUVGJFLXTVXRU-UHFFFAOYSA-N
XLogP1.70
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 115693292
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115693317
1-(5-chloro-2-pyridinyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 115908958
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 104878601
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
1-(2-bromo-4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 75431857
(2R)-2-(3-chlorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]propan-1-amine
CID 99824209
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 115693290
5-chloro-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663388
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611
2,2,2-trifluoro-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43663111

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine (CID 115693281) is N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is Cn1cc(Cl)cc1CNCc1ccnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is ZNUVGJFLXTVXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4/c1-15-8-9(12)5-11(15)7-13-6-10-3-4-14-16(10)2/h3-5,8,13H,6-7H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine?
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 238.72 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 115693281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).