N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine

C10H14ClN5 — CID 114658469

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1c(Cl)cnn1C
InChIInChI=1S/C10H14ClN5/c1-3-12-8(10-13-4-5-14-10)9-7(11)6-15-16(9)2/h4-6,8,12H,3H2,1-2H3,(H,13,14)
InChIKeyMGBHJVWZDKWYBH-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.50
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine

N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine (PubChem CID 114658469) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine
PubChem CID114658469
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine
SMILESCCNC(c1ncc[nH]1)c1c(Cl)cnn1C
InChIInChI=1S/C10H14ClN5/c1-3-12-8(10-13-4-5-14-10)9-7(11)6-15-16(9)2/h4-6,8,12H,3H2,1-2H3,(H,13,14)
InChIKeyMGBHJVWZDKWYBH-UHFFFAOYSA-N
XLogP1.50
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chloro-1-methylpyrazol-5-yl)-(4-ethoxyphenyl)methyl]ethanamine
CID 105046393
N-[(4-chloro-1-methylpyrazol-5-yl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 105046319
N-[(4-chloro-1-methylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 114648823
3-(4-chloro-1-methylpyrazol-5-yl)-N-ethylbutan-2-amine
CID 114662988
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[(3-bromo-2-chlorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methyl]ethanamine
CID 105046639
N-[(4-chloro-1-methylpyrazol-5-yl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
CID 114659039
N-[(4-bromo-3-chloro-2-fluorophenyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 106762810
N-[(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 114659313
N-[(4-chloro-1-methylpyrazol-5-yl)-pyridin-4-ylmethyl]propan-1-amine
CID 114647242
1-(4-chloro-1-methylpyrazol-5-yl)-2-ethoxy-N-ethylethanamine
CID 114655981
1-(4-chloro-1-methylpyrazol-5-yl)-N-ethylhexan-1-amine
CID 105046403

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine (CID 114658469) is N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine is CCNC(c1ncc[nH]1)c1c(Cl)cnn1C.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine?
The InChIKey is MGBHJVWZDKWYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-3-12-8(10-13-4-5-14-10)9-7(11)6-15-16(9)2/h4-6,8,12H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine has a molecular weight of 239.71 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)-(1H-imidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 114658469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).